2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene

C18H23F3S — CID 147976403

IUPAC2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
SMILESCC1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1
InChIInChI=1S/C18H23F3S/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22-16)18(19,20)21/h8,10-14H,2-7,9H2,1H3
InChIKeyISJCCTDMTJSSEF-UHFFFAOYSA-N
MW328.44 g/mol
LogP6.78
Rot. Bonds2

About 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene

2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene (PubChem CID 147976403) has the molecular formula C18H23F3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
PubChem CID147976403
Molecular FormulaC18H23F3S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
SMILESCC1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1
InChIInChI=1S/C18H23F3S/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22-16)18(19,20)21/h8,10-14H,2-7,9H2,1H3
InChIKeyISJCCTDMTJSSEF-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
CID 151155513
2-[4-[4-(cyclopenten-1-yl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene
CID 159478085
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethoxy)benzene;ethane
CID 142541001
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
CID 166903499
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 126556663

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene (CID 147976403) is 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene is CC1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
The InChIKey is ISJCCTDMTJSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3S/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22-16)18(19,20)21/h8,10-14H,2-7,9H2,1H3.
What are the key properties of 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene has a molecular weight of 328.44 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 147976403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).