5-fluoro-4-(trifluoromethyl)azepan-4-ol

C7H11F4NO — CID 118798631

IUPAC5-fluoro-4-(trifluoromethyl)azepan-4-ol
SMILESOC1(C(F)(F)F)CCNCCC1F
InChIInChI=1S/C7H11F4NO/c8-5-1-3-12-4-2-6(5,13)7(9,10)11/h5,12-13H,1-4H2
InChIKeyRHNGOAYKQPFGFC-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.00
Rot. Bonds

About 5-fluoro-4-(trifluoromethyl)azepan-4-ol

5-fluoro-4-(trifluoromethyl)azepan-4-ol (PubChem CID 118798631) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is 5-fluoro-4-(trifluoromethyl)azepan-4-ol.

Molecular Properties

Compound Name5-fluoro-4-(trifluoromethyl)azepan-4-ol
PubChem CID118798631
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC Name5-fluoro-4-(trifluoromethyl)azepan-4-ol
SMILESOC1(C(F)(F)F)CCNCCC1F
InChIInChI=1S/C7H11F4NO/c8-5-1-3-12-4-2-6(5,13)7(9,10)11/h5,12-13H,1-4H2
InChIKeyRHNGOAYKQPFGFC-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)azepan-4-ol hydrochloride
CID 118798394
4-Methylazepan-4-OL
CID 53393484
4-(Trifluoromethyl)azepan-4-ol
CID 55296064
5,5-Difluoro-4-methylazepan-4-ol
CID 176271122
5-(2,2,2-Trifluoroethyl)azepan-4-ol
CID 83484907
4-(Aminomethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83918073
4-(2-Aminoethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83919438
4-(4,4,4-Trifluorobutyl)azepan-4-ol
CID 103982859
4-(3,3,3-Trifluoropropyl)azepan-4-ol
CID 103982938
4-(Difluoromethyl)azepan-4-ol
CID 103983030
4-[Bromo(difluoro)methyl]azepan-4-ol
CID 107140346
1-[2-(Propylamino)ethyl]-4-(trifluoromethyl)azepan-4-ol
CID 112737761

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(trifluoromethyl)azepan-4-ol?
The IUPAC name of 5-fluoro-4-(trifluoromethyl)azepan-4-ol (CID 118798631) is 5-fluoro-4-(trifluoromethyl)azepan-4-ol.
What is the SMILES notation for 5-fluoro-4-(trifluoromethyl)azepan-4-ol?
The canonical SMILES for 5-fluoro-4-(trifluoromethyl)azepan-4-ol is OC1(C(F)(F)F)CCNCCC1F.
What is the InChIKey of 5-fluoro-4-(trifluoromethyl)azepan-4-ol?
The InChIKey is RHNGOAYKQPFGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c8-5-1-3-12-4-2-6(5,13)7(9,10)11/h5,12-13H,1-4H2.
What are the key properties of 5-fluoro-4-(trifluoromethyl)azepan-4-ol?
5-fluoro-4-(trifluoromethyl)azepan-4-ol has a molecular weight of 201.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(trifluoromethyl)azepan-4-ol is sourced from PubChem (CID 118798631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).