1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen

C20H35F — CID 160545349

IUPAC1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
SMILESC.CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C19H27F.CH4.2H2/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18;;;/h10-17H,2-9H2,1H3;1H4;2*1H
InChIKeyQXIUSTFQVOLSIP-UHFFFAOYSA-N
MW294.50 g/mol
LogP7.05
Rot. Bonds2

About 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen

1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen (PubChem CID 160545349) has the molecular formula C20H35F and a molecular weight of 294.50 g/mol. Its IUPAC name is 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen.

Molecular Properties

Compound Name1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
PubChem CID160545349
Molecular FormulaC20H35F
Molecular Weight294.50 g/mol
Exact Mass294.27
IUPAC Name1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
SMILESC.CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C19H27F.CH4.2H2/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18;;;/h10-17H,2-9H2,1H3;1H4;2*1H
InChIKeyQXIUSTFQVOLSIP-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.50
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
methane;[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162132336
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 158696039

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen?
The IUPAC name of 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen (CID 160545349) is 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen.
What is the SMILES notation for 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen?
The canonical SMILES for 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen is C.CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen?
The InChIKey is QXIUSTFQVOLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F.CH4.2H2/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18;;;/h10-17H,2-9H2,1H3;1H4;2*1H.
What are the key properties of 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen?
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen has a molecular weight of 294.50 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen is sourced from PubChem (CID 160545349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).