4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol

C20H29F3OS — CID 153380810

IUPAC4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol
SMILESCCCC1CCC(C2CCC(O)(c3ccc(C(F)(F)F)s3)CC2)CC1
InChIInChI=1S/C20H29F3OS/c1-2-3-14-4-6-15(7-5-14)16-10-12-19(24,13-11-16)17-8-9-18(25-17)20(21,22)23/h8-9,14-16,24H,2-7,10-13H2,1H3
InChIKeyDDHPLQONHLARLY-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.75
Rot. Bonds4

About 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol

4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol (PubChem CID 153380810) has the molecular formula C20H29F3OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol
PubChem CID153380810
Molecular FormulaC20H29F3OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol
SMILESCCCC1CCC(C2CCC(O)(c3ccc(C(F)(F)F)s3)CC2)CC1
InChIInChI=1S/C20H29F3OS/c1-2-3-14-4-6-15(7-5-14)16-10-12-19(24,13-11-16)17-8-9-18(25-17)20(21,22)23/h8-9,14-16,24H,2-7,10-13H2,1H3
InChIKeyDDHPLQONHLARLY-UHFFFAOYSA-N
XLogP6.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol (CID 153380810) is 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol is CCCC1CCC(C2CCC(O)(c3ccc(C(F)(F)F)s3)CC2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol?
The InChIKey is DDHPLQONHLARLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3OS/c1-2-3-14-4-6-15(7-5-14)16-10-12-19(24,13-11-16)17-8-9-18(25-17)20(21,22)23/h8-9,14-16,24H,2-7,10-13H2,1H3.
What are the key properties of 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol?
4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol has a molecular weight of 374.51 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)-1-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 153380810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).