1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene

C35H39F3 — CID 67738525

IUPAC1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3)CC2)CC1
InChIInChI=1S/C35H39F3/c1-3-5-23-6-8-25(9-7-23)26-10-12-27(13-11-26)30-19-20-31(33(36)22-30)28-14-16-29(17-15-28)32-21-18-24(4-2)34(37)35(32)38/h12,14-23,25-26H,3-11,13H2,1-2H3
InChIKeyKVFXHFAXRLNGCF-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.79
Rot. Bonds7

About 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene

1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene (PubChem CID 67738525) has the molecular formula C35H39F3 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
PubChem CID67738525
Molecular FormulaC35H39F3
Molecular Weight516.69 g/mol
Exact Mass516.30
IUPAC Name1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3)CC2)CC1
InChIInChI=1S/C35H39F3/c1-3-5-23-6-8-25(9-7-23)26-10-12-27(13-11-26)30-19-20-31(33(36)22-30)28-14-16-29(17-15-28)32-21-18-24(4-2)34(37)35(32)38/h12,14-23,25-26H,3-11,13H2,1-2H3
InChIKeyKVFXHFAXRLNGCF-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-hexylbenzene
CID 67738933
1-butyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738932
1-decyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738918
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pentylbenzene
CID 77345625
2,3-difluoro-1-[4-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-nonylbenzene
CID 67739266
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-octylbenzene
CID 143772861
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-methoxybenzene
CID 67739436
1-ethoxy-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738953
1-[4-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67740179
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene (CID 67738525) is 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene is CCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3)CC2)CC1.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
The InChIKey is KVFXHFAXRLNGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3/c1-3-5-23-6-8-25(9-7-23)26-10-12-27(13-11-26)30-19-20-31(33(36)22-30)28-14-16-29(17-15-28)32-21-18-24(4-2)34(37)35(32)38/h12,14-23,25-26H,3-11,13H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene has a molecular weight of 516.69 g/mol, XLogP of 10.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene is sourced from PubChem (CID 67738525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).