1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene

C23H32F2O — CID 19842688

IUPAC1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene
SMILESCCCOC1CCC(C2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C23H32F2O/c1-2-15-26-22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-17(4-6-18)16-23(24)25/h3-6,16,19-22H,2,7-15H2,1H3
InChIKeyBIBOKOTWFWQMGA-UHFFFAOYSA-N
MW362.50 g/mol
LogP7.18
Rot. Bonds6

About 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene

1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene (PubChem CID 19842688) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene
PubChem CID19842688
Molecular FormulaC23H32F2O
Molecular Weight362.50 g/mol
Exact Mass362.24
IUPAC Name1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene
SMILESCCCOC1CCC(C2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C23H32F2O/c1-2-15-26-22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-17(4-6-18)16-23(24)25/h3-6,16,19-22H,2,7-15H2,1H3
InChIKeyBIBOKOTWFWQMGA-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 19842832
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane
CID 18935830
2-fluoro-4-[(E)-2-[4-(4-octoxycyclohexyl)phenyl]ethenyl]-1-(trifluoromethyl)benzene
CID 90049197
[4-(pentafluoro-λ6-sulfanyl)phenyl] 4-(4-propoxycyclohexyl)benzoate
CID 88523492
(3Z)-5-[4-(4-butoxycyclohexyl)phenyl]-2-methylidenehexa-3,5-dienenitrile
CID 143430486
2-(4-but-3-enylphenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864925
3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane
CID 18612136
1-(3-methylhex-5-en-1-ynyl)-4-(4-propoxycyclohexyl)benzene
CID 174370764
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
CID 67859212
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene (CID 19842688) is 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene is CCCOC1CCC(C2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene?
The InChIKey is BIBOKOTWFWQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O/c1-2-15-26-22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-17(4-6-18)16-23(24)25/h3-6,16,19-22H,2,7-15H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene?
1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene has a molecular weight of 362.50 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 19842688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).