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

C21H29F3S — CID 151155513

IUPAC2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
SMILESCCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1
InChIInChI=1S/C21H29F3S/c1-2-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-19)21(22,23)24/h11,13-17H,2-10,12H2,1H3
InChIKeyMZDLRKXBIHUZDS-UHFFFAOYSA-N
MW370.52 g/mol
LogP7.95
Rot. Bonds5

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

2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene (PubChem CID 151155513) has the molecular formula C21H29F3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
PubChem CID151155513
Molecular FormulaC21H29F3S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
SMILESCCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1
InChIInChI=1S/C21H29F3S/c1-2-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-19)21(22,23)24/h11,13-17H,2-10,12H2,1H3
InChIKeyMZDLRKXBIHUZDS-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
CID 147976403
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
4-[4-(4-dodecylcyclohexyl)cyclohexen-1-yl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139779202
4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile
CID 86197713
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
pentakis(4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]benzenethiol);pentahydrofluoride
CID 173376232
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
2,3-difluoro-1-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-4-(2,2,2-trifluoroethoxy)benzene
CID 175685847
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene (CID 151155513) is 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene is CCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1.
What is the InChIKey of 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
The InChIKey is MZDLRKXBIHUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3S/c1-2-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-19)21(22,23)24/h11,13-17H,2-10,12H2,1H3.
What are the key properties of 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene?
2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene has a molecular weight of 370.52 g/mol, XLogP of 7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 151155513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).