1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol

C6H12F3NO — CID 19417382

IUPAC1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4(2)10-3-5(11)6(7,8)9/h4-5,10-11H,3H2,1-2H3
InChIKeyFUCMZFYSCPTXCQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds3

About 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol (PubChem CID 19417382) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol
PubChem CID19417382
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4(2)10-3-5(11)6(7,8)9/h4-5,10-11H,3H2,1-2H3
InChIKeyFUCMZFYSCPTXCQ-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-(propan-2-ylamino)propan-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

2-[(1-Methylpropyl)amino]ethanol
CID 98429
1,1,1-Trifluoro-3-[(3-methoxypropyl)amino]-2-propanol
CID 2768007
1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
1-(Ethylamino)propan-2-ol
CID 3016164
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-((2-Hydroxypropyl)amino)propan-1-ol
CID 9833968
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
(2S)-1-(ethylamino)propan-2-ol
CID 39234954
(2R)-1-(cyclopropylamino)propan-2-ol
CID 39234967
1-Fluoro-3-(methylamino)propan-2-ol
CID 55286423
rac-(2R,3R)-3-(methylamino)butan-2-ol
CID 55287168
1-(Cyclopropylamino)propan-2-ol
CID 57482591

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol (CID 19417382) is 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is FUCMZFYSCPTXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-4(2)10-3-5(11)6(7,8)9/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 19417382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).