3-methyl-4-(trifluoromethyl)azepan-4-ol

C8H14F3NO — CID 118798624

IUPAC3-methyl-4-(trifluoromethyl)azepan-4-ol
SMILESCC1CNCCCC1(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-5-12-4-2-3-7(6,13)8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyXYNRXHIKRBEAIV-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)azepan-4-ol

3-methyl-4-(trifluoromethyl)azepan-4-ol (PubChem CID 118798624) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)azepan-4-ol.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)azepan-4-ol
PubChem CID118798624
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-methyl-4-(trifluoromethyl)azepan-4-ol
SMILESCC1CNCCCC1(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-5-12-4-2-3-7(6,13)8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyXYNRXHIKRBEAIV-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-(piperidin-4-yl)propan-2-ol
CID 50987534
4-(Trifluoromethyl)azepan-4-ol hydrochloride
CID 118798394
(2R)-1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
CID 52421250
(2S)-1,1,1-trifluoro-2-(4-piperidyl)propan-2-ol
CID 52421252
4-Methylazepan-4-OL
CID 53393484
4-(Trifluoromethyl)azepan-4-ol
CID 55296064
1,1,1,3,3-Pentafluoro-2-piperidin-4-ylbutan-2-ol
CID 129107645
1,1,1-Trifluoro-2-pyrrolidin-3-ylpropan-2-ol
CID 131001807
5,5-Difluoro-4-methylazepan-4-ol
CID 176271122
6,6,6-Trifluoro-3-methyl-1-(propylamino)hexan-3-ol
CID 65985300
1-(Ethylamino)-6,6,6-trifluoro-3-methylhexan-3-ol
CID 65987462
6,6,6-Trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol
CID 66001086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)azepan-4-ol?
The IUPAC name of 3-methyl-4-(trifluoromethyl)azepan-4-ol (CID 118798624) is 3-methyl-4-(trifluoromethyl)azepan-4-ol.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)azepan-4-ol?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)azepan-4-ol is CC1CNCCCC1(O)C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)azepan-4-ol?
The InChIKey is XYNRXHIKRBEAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-5-12-4-2-3-7(6,13)8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)azepan-4-ol?
3-methyl-4-(trifluoromethyl)azepan-4-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)azepan-4-ol is sourced from PubChem (CID 118798624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).