5-(2,2,2-trifluoroethyl)azepan-4-ol

C8H14F3NO — CID 83484907

IUPAC5-(2,2,2-trifluoroethyl)azepan-4-ol
SMILESOC1CCNCCC1CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-6-1-3-12-4-2-7(6)13/h6-7,12-13H,1-5H2
InChIKeyHJCJTAJFTDMVSS-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)azepan-4-ol

5-(2,2,2-trifluoroethyl)azepan-4-ol (PubChem CID 83484907) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)azepan-4-ol.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)azepan-4-ol
PubChem CID83484907
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name5-(2,2,2-trifluoroethyl)azepan-4-ol
SMILESOC1CCNCCC1CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-6-1-3-12-4-2-7(6)13/h6-7,12-13H,1-5H2
InChIKeyHJCJTAJFTDMVSS-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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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)azepan-4-ol?
The IUPAC name of 5-(2,2,2-trifluoroethyl)azepan-4-ol (CID 83484907) is 5-(2,2,2-trifluoroethyl)azepan-4-ol.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)azepan-4-ol?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)azepan-4-ol is OC1CCNCCC1CC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)azepan-4-ol?
The InChIKey is HJCJTAJFTDMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-6-1-3-12-4-2-7(6)13/h6-7,12-13H,1-5H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)azepan-4-ol?
5-(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 5-(2,2,2-trifluoroethyl)azepan-4-ol is sourced from PubChem (CID 83484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).