1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene

C23H32F2 — CID 130352058

IUPAC1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
SMILESC=CC1CCC(C2CCC(c3ccc(CCC)cc3)CC2)CC1(F)F
InChIInChI=1S/C23H32F2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(4-2)23(24,25)16-21/h4,6-9,19-22H,2-3,5,10-16H2,1H3
InChIKeyPQANSLXTURTEAX-UHFFFAOYSA-N
MW346.51 g/mol
LogP7.15
Rot. Bonds5

About 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene

1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene (PubChem CID 130352058) has the molecular formula C23H32F2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
PubChem CID130352058
Molecular FormulaC23H32F2
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
SMILESC=CC1CCC(C2CCC(c3ccc(CCC)cc3)CC2)CC1(F)F
InChIInChI=1S/C23H32F2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(4-2)23(24,25)16-21/h4,6-9,19-22H,2-3,5,10-16H2,1H3
InChIKeyPQANSLXTURTEAX-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 57.15
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

1-[4-[(4-ethenyl-3,3-difluorocyclohexyl)methoxy]cyclohexyl]-4-pentylbenzene
CID 130352067
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
CID 154524140
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
(2R,4aR,8aR)-2-but-3-enyl-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809752

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene (CID 130352058) is 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene is C=CC1CCC(C2CCC(c3ccc(CCC)cc3)CC2)CC1(F)F.
What is the InChIKey of 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene?
The InChIKey is PQANSLXTURTEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(4-2)23(24,25)16-21/h4,6-9,19-22H,2-3,5,10-16H2,1H3.
What are the key properties of 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene?
1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene has a molecular weight of 346.51 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 130352058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).