3-amino-1,1,1-trifluoroheptan-2-ol

C7H14F3NO — CID 22121539

IUPAC3-amino-1,1,1-trifluoroheptan-2-ol
SMILESCCCCC(N)C(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-3-4-5(11)6(12)7(8,9)10/h5-6,12H,2-4,11H2,1H3
InChIKeyYQBIREVKWONSGA-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.43
Rot. Bonds4

About 3-amino-1,1,1-trifluoroheptan-2-ol

3-amino-1,1,1-trifluoroheptan-2-ol (PubChem CID 22121539) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoroheptan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoroheptan-2-ol
PubChem CID22121539
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3-amino-1,1,1-trifluoroheptan-2-ol
SMILESCCCCC(N)C(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-3-4-5(11)6(12)7(8,9)10/h5-6,12H,2-4,11H2,1H3
InChIKeyYQBIREVKWONSGA-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1,1,1-trifluoroheptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol
CID 93492915
(3R)-3-amino-1-fluoroheptan-2-ol
CID 122585066
1,1,1-trifluorohexan-2-amine
CID 50998628
5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one
CID 151772322
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-amine
CID 103311798
1,3-diaminoheptan-2-ol
CID 23346836
(2S)-2-aminoheptane-1,1-diol
CID 166719915
2-butylpropanediamide
CID 2317243
2-decyl-4,4,4-trifluorobutane-1,3-diol
CID 75153361
2,2-difluoroheptan-3-amine
CID 130605107
3-aminooctan-2-ol
CID 14271184

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoroheptan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoroheptan-2-ol (CID 22121539) is 3-amino-1,1,1-trifluoroheptan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoroheptan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoroheptan-2-ol is CCCCC(N)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoroheptan-2-ol?
The InChIKey is YQBIREVKWONSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-3-4-5(11)6(12)7(8,9)10/h5-6,12H,2-4,11H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoroheptan-2-ol?
3-amino-1,1,1-trifluoroheptan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoroheptan-2-ol is sourced from PubChem (CID 22121539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).