1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

C14H19F3OS — CID 65154287

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H19F3OS/c1-2-11-3-4-12(19-11)9-13(18)7-5-10(6-8-13)14(15,16)17/h3-4,10,18H,2,5-9H2,1H3
InChIKeyAFCRRQNNPSUHLB-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.34
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65154287) has the molecular formula C14H19F3OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65154287
Molecular FormulaC14H19F3OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H19F3OS/c1-2-11-3-4-12(19-11)9-13(18)7-5-10(6-8-13)14(15,16)17/h3-4,10,18H,2,5-9H2,1H3
InChIKeyAFCRRQNNPSUHLB-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 65154287) is 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is CCc1ccc(CC2(O)CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AFCRRQNNPSUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3OS/c1-2-11-3-4-12(19-11)9-13(18)7-5-10(6-8-13)14(15,16)17/h3-4,10,18H,2,5-9H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 292.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65154287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).