4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol

C9H14F6O — CID 89360060

IUPAC4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
SMILESCCC(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-3-6(4-2)5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3
InChIKeyQCCMBOFFERLUDY-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.67
Rot. Bonds4

About 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol

4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol (PubChem CID 89360060) has the molecular formula C9H14F6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
PubChem CID89360060
Molecular FormulaC9H14F6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
SMILESCCC(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-3-6(4-2)5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3
InChIKeyQCCMBOFFERLUDY-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
CID 70644379
3,5-diethylheptan-3-ol
CID 82929105
5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol
CID 25179063
1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol
CID 59752417
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol
CID 116535930
[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-iodobutanoate
CID 126552258
1-chloro-1,1-difluoro-2-(trifluoromethyl)pentan-2-ol
CID 53438326
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
CID 20760669
5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
(4S)-4-ethyl-1,1,1-trifluoro-5-methylhexane-2,2-diol
CID 147451457

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The IUPAC name of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol (CID 89360060) is 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol.
What is the SMILES notation for 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The canonical SMILES for 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol is CCC(CC)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The InChIKey is QCCMBOFFERLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O/c1-3-6(4-2)5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol has a molecular weight of 252.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol is sourced from PubChem (CID 89360060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).