3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol

C10H10F5NO — CID 170874623

IUPAC3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(CCO)c1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C10H10F5NO/c11-8-5(7(16)3-4-17)1-2-6(9(8)12)10(13,14)15/h1-2,7,17H,3-4,16H2
InChIKeyBDYGYEOPLCLXCB-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.37
Rot. Bonds3

About 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol

3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 170874623) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID170874623
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(CCO)c1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C10H10F5NO/c11-8-5(7(16)3-4-17)1-2-6(9(8)12)10(13,14)15/h1-2,7,17H,3-4,16H2
InChIKeyBDYGYEOPLCLXCB-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanol
CID 66515534
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319
(3S)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171228457
3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
CID 84788312
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
(4S)-4-amino-4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]butan-1-ol
CID 171228882
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131873275
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine
CID 171227373
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol (CID 170874623) is 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol is NC(CCO)c1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is BDYGYEOPLCLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c11-8-5(7(16)3-4-17)1-2-6(9(8)12)10(13,14)15/h1-2,7,17H,3-4,16H2.
What are the key properties of 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 255.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 170874623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).