2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene

C22H30F2 — CID 91500726

IUPAC2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
SMILESCC1CCC(C2CC=C(c3ccc(C(C)C)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H30F2/c1-14(2)19-12-13-20(22(24)21(19)23)18-10-8-17(9-11-18)16-6-4-15(3)5-7-16/h10,12-17H,4-9,11H2,1-3H3
InChIKeyPWWIMDVTSVTMRL-UHFFFAOYSA-N
MW332.48 g/mol
LogP7.10
Rot. Bonds3

About 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene (PubChem CID 91500726) has the molecular formula C22H30F2 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
PubChem CID91500726
Molecular FormulaC22H30F2
Molecular Weight332.48 g/mol
Exact Mass332.23
IUPAC Name2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
SMILESCC1CCC(C2CC=C(c3ccc(C(C)C)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H30F2/c1-14(2)19-12-13-20(22(24)21(19)23)18-10-8-17(9-11-18)16-6-4-15(3)5-7-16/h10,12-17H,4-9,11H2,1-3H3
InChIKeyPWWIMDVTSVTMRL-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethoxy)benzene;ethane
CID 142541001
[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
CID 166903499
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677
1-[4-[4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]cyclohexyl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]propan-1-ol
CID 88893818
1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
CID 134252787
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene
CID 90710023
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 126556663
[4-[2,3-difluoro-4-(1-hydroxypropyl)phenyl]-2,3-difluorophenyl] 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]cyclohexane-1-carboxylate
CID 88893882
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methoxybenzene
CID 170390824
1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
CID 170065989

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene?
The IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene (CID 91500726) is 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene?
The canonical SMILES for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene is CC1CCC(C2CC=C(c3ccc(C(C)C)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene?
The InChIKey is PWWIMDVTSVTMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2/c1-14(2)19-12-13-20(22(24)21(19)23)18-10-8-17(9-11-18)16-6-4-15(3)5-7-16/h10,12-17H,4-9,11H2,1-3H3.
What are the key properties of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene?
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene has a molecular weight of 332.48 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene is sourced from PubChem (CID 91500726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).