4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C15H18F4O — CID 107287038

IUPAC4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4O/c1-2-10-5-7-14(20,8-6-10)11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9-10,20H,2,5-8H2,1H3
InChIKeyGJTNPFARTTWNIS-UHFFFAOYSA-N
MW290.30 g/mol
LogP4.63
Rot. Bonds2

About 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 107287038) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID107287038
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4O/c1-2-10-5-7-14(20,8-6-10)11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9-10,20H,2,5-8H2,1H3
InChIKeyGJTNPFARTTWNIS-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 107287038) is 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is CCC1CCC(O)(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is GJTNPFARTTWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-2-10-5-7-14(20,8-6-10)11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9-10,20H,2,5-8H2,1H3.
What are the key properties of 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 290.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 107287038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).