3-amino-1,1,1,2-tetrafluoropropan-2-ol

C3H5F4NO — CID 176641052

IUPAC3-amino-1,1,1,2-tetrafluoropropan-2-ol
SMILESNCC(O)(F)C(F)(F)F
InChIInChI=1S/C3H5F4NO/c4-2(9,1-8)3(5,6)7/h9H,1,8H2
InChIKeyNUSACAFYYVSMDN-UHFFFAOYSA-N
MW147.07 g/mol
LogP0.17
Rot. Bonds1

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

3-amino-1,1,1,2-tetrafluoropropan-2-ol (PubChem CID 176641052) has the molecular formula C3H5F4NO and a molecular weight of 147.07 g/mol. Its IUPAC name is 3-amino-1,1,1,2-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1,2-tetrafluoropropan-2-ol
PubChem CID176641052
Molecular FormulaC3H5F4NO
Molecular Weight147.07 g/mol
Exact Mass147.03
IUPAC Name3-amino-1,1,1,2-tetrafluoropropan-2-ol
SMILESNCC(O)(F)C(F)(F)F
InChIInChI=1S/C3H5F4NO/c4-2(9,1-8)3(5,6)7/h9H,1,8H2
InChIKeyNUSACAFYYVSMDN-UHFFFAOYSA-N
XLogP0.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.07
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1,1,1,2-tetrafluoropropan-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

3-Amino-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-ol
CID 12023677
2-Amino-1,1,2-trifluoroethanol
CID 87454490
2-Amino-1,1-difluoroethanol
CID 131194137
(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol
CID 152834270
[3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]azanide
CID 159632774

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1,2-tetrafluoropropan-2-ol?
The IUPAC name of 3-amino-1,1,1,2-tetrafluoropropan-2-ol (CID 176641052) is 3-amino-1,1,1,2-tetrafluoropropan-2-ol.
What is the SMILES notation for 3-amino-1,1,1,2-tetrafluoropropan-2-ol?
The canonical SMILES for 3-amino-1,1,1,2-tetrafluoropropan-2-ol is NCC(O)(F)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1,2-tetrafluoropropan-2-ol?
The InChIKey is NUSACAFYYVSMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NO/c4-2(9,1-8)3(5,6)7/h9H,1,8H2.
What are the key properties of 3-amino-1,1,1,2-tetrafluoropropan-2-ol?
3-amino-1,1,1,2-tetrafluoropropan-2-ol has a molecular weight of 147.07 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1,2-tetrafluoropropan-2-ol is sourced from PubChem (CID 176641052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).