3-(2,2,2-trifluoroethyl)azepan-4-ol

C8H14F3NO — CID 83484906

IUPAC3-(2,2,2-trifluoroethyl)azepan-4-ol
SMILESOC1CCCNCC1CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)4-6-5-12-3-1-2-7(6)13/h6-7,12-13H,1-5H2
InChIKeyOGZLWOHMWSOHSA-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)azepan-4-ol

3-(2,2,2-trifluoroethyl)azepan-4-ol (PubChem CID 83484906) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)azepan-4-ol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)azepan-4-ol
PubChem CID83484906
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-(2,2,2-trifluoroethyl)azepan-4-ol
SMILESOC1CCCNCC1CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)4-6-5-12-3-1-2-7(6)13/h6-7,12-13H,1-5H2
InChIKeyOGZLWOHMWSOHSA-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
CID 84769566
2-(piperidin-3-ylmethyl)cyclohexan-1-ol
CID 84733525
(3R,4R)-4-fluoroazepan-3-ol
CID 118230290
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393768
3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
piperidin-3-ol;dihydrochloride
CID 67374500
4-(trifluoromethyl)piperidin-3-ol
CID 82597852
4-iodoazepan-3-ol
CID 118248122
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)azepan-4-ol?
The IUPAC name of 3-(2,2,2-trifluoroethyl)azepan-4-ol (CID 83484906) is 3-(2,2,2-trifluoroethyl)azepan-4-ol.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)azepan-4-ol?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)azepan-4-ol is OC1CCCNCC1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)azepan-4-ol?
The InChIKey is OGZLWOHMWSOHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)4-6-5-12-3-1-2-7(6)13/h6-7,12-13H,1-5H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)azepan-4-ol?
3-(2,2,2-trifluoroethyl)azepan-4-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)azepan-4-ol is sourced from PubChem (CID 83484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).