1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C12H12F6O — CID 103312595

IUPAC1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCCc1cccc(C(O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-2-7-4-3-5-8(6-7)9(19)10(11(13,14)15)12(16,17)18/h3-6,9-10,19H,2H2,1H3
InChIKeyKCTPILZYDHWYDO-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.02
Rot. Bonds3

About 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312595) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103312595
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCCc1cccc(C(O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-2-7-4-3-5-8(6-7)9(19)10(11(13,14)15)12(16,17)18/h3-6,9-10,19H,2H2,1H3
InChIKeyKCTPILZYDHWYDO-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 57169339
1-(3-ethylphenyl)-3-methoxy-2-methylpropan-1-ol
CID 116502579
1-(3-ethylphenyl)-2-methoxybutan-1-ol
CID 116710803
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
1-(3-ethylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763031
S-[3-(3-ethylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821493
1-(2,2-dimethylhexan-3-yl)-3-ethylbenzene
CID 59692082
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-butan-2-yl-3-ethylbenzene
CID 528681
[2-chloro-1-(3-ethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265335

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103312595) is 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is CCc1cccc(C(O)C(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is KCTPILZYDHWYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c1-2-7-4-3-5-8(6-7)9(19)10(11(13,14)15)12(16,17)18/h3-6,9-10,19H,2H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 286.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).