1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen

C38H52F4 — CID 160846424

IUPAC1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen
SMILESFc1cc(F)cc(C2CCC(=CCC3CCCC3)CC2)c1.Fc1cc(F)cc(C2CCC(CCC3CCCC3)CC2)c1.[H][H]
InChIInChI=1S/C19H26F2.C19H24F2.H2/c2*20-18-11-17(12-19(21)13-18)16-9-7-15(8-10-16)6-5-14-3-1-2-4-14;/h11-16H,1-10H2;6,11-14,16H,1-5,7-10H2;1H/b;15-6-;
InChIKeySIRWSIQJQXKWPH-FWXHHXDZSA-N
MW584.83 g/mol
LogP12.58
Rot. Bonds7

About 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen

1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen (PubChem CID 160846424) has the molecular formula C38H52F4 and a molecular weight of 584.83 g/mol. Its IUPAC name is 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen.

Molecular Properties

Compound Name1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen
PubChem CID160846424
Molecular FormulaC38H52F4
Molecular Weight584.83 g/mol
Exact Mass584.40
IUPAC Name1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen
SMILESFc1cc(F)cc(C2CCC(=CCC3CCCC3)CC2)c1.Fc1cc(F)cc(C2CCC(CCC3CCCC3)CC2)c1.[H][H]
InChIInChI=1S/C19H26F2.C19H24F2.H2/c2*20-18-11-17(12-19(21)13-18)16-9-7-15(8-10-16)6-5-14-3-1-2-4-14;/h11-16H,1-10H2;6,11-14,16H,1-5,7-10H2;1H/b;15-6-;
InChIKeySIRWSIQJQXKWPH-FWXHHXDZSA-N
XLogP12.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.83
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen with MolForge

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Related Compounds

1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(1-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen
CID 158717138
1,3-difluoro-5-[4-(7-fluoroheptyl)cyclohexyl]benzene
CID 20663479
1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710805
5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67685950
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
CID 139710926
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
3-(3,5-difluorophenyl)cycloheptan-1-amine
CID 64505323
(2R,4aR,8aR)-2-but-3-enyl-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809660
3-(3,5-difluorophenyl)cyclopentan-1-amine
CID 64503877
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
2-(3,5-difluorophenyl)-6-(4-heptylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen?
The IUPAC name of 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen (CID 160846424) is 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen.
What is the SMILES notation for 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen?
The canonical SMILES for 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen is Fc1cc(F)cc(C2CCC(=CCC3CCCC3)CC2)c1.Fc1cc(F)cc(C2CCC(CCC3CCCC3)CC2)c1.[H][H].
What is the InChIKey of 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen?
The InChIKey is SIRWSIQJQXKWPH-FWXHHXDZSA-N. The full InChI is InChI=1S/C19H26F2.C19H24F2.H2/c2*20-18-11-17(12-19(21)13-18)16-9-7-15(8-10-16)6-5-14-3-1-2-4-14;/h11-16H,1-10H2;6,11-14,16H,1-5,7-10H2;1H/b;15-6-;.
What are the key properties of 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen?
1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen has a molecular weight of 584.83 g/mol, XLogP of 12.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopentylethyl)cyclohexyl]-3,5-difluorobenzene;1-[4-(2-cyclopentylethylidene)cyclohexyl]-3,5-difluorobenzene;molecular hydrogen is sourced from PubChem (CID 160846424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).