1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene

C16H20F2 — CID 134365637

IUPAC1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
SMILESC=CCCC1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C16H20F2/c1-2-3-5-12-8-10-13(11-9-12)14-6-4-7-15(17)16(14)18/h2,4,6-7,12-13H,1,3,5,8-11H2
InChIKeyUSICOSPFHNRBJC-UHFFFAOYSA-N
MW250.33 g/mol
LogP5.20
Rot. Bonds4

About 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene

1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene (PubChem CID 134365637) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
PubChem CID134365637
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
SMILESC=CCCC1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C16H20F2/c1-2-3-5-12-8-10-13(11-9-12)14-6-4-7-15(17)16(14)18/h2,4,6-7,12-13H,1,3,5,8-11H2
InChIKeyUSICOSPFHNRBJC-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-difluorophenyl)cyclohexyl]ethanol
CID 139792996
1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
CID 134365576
5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol
CID 19706379
1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175686321
6-(4-but-3-enylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol
CID 134473121
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
3-(4-but-3-enylcyclohexyl)-7-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2,8-trifluorobiphenylene
CID 134465180
4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol
CID 145235065
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 67738437
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene?
The IUPAC name of 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene (CID 134365637) is 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene is C=CCCC1CCC(c2cccc(F)c2F)CC1.
What is the InChIKey of 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene?
The InChIKey is USICOSPFHNRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2/c1-2-3-5-12-8-10-13(11-9-12)14-6-4-7-15(17)16(14)18/h2,4,6-7,12-13H,1,3,5,8-11H2.
What are the key properties of 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene?
1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene has a molecular weight of 250.33 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene is sourced from PubChem (CID 134365637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).