2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol

C10H12F3NO — CID 84684485

IUPAC2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
SMILESCC(N)C(O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C10H12F3NO/c1-5(14)9(15)6-2-3-7(10(12)13)8(11)4-6/h2-5,9-10,15H,14H2,1H3
InChIKeyHQPATBHVESGGRI-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol

2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol (PubChem CID 84684485) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
PubChem CID84684485
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
SMILESCC(N)C(O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C10H12F3NO/c1-5(14)9(15)6-2-3-7(10(12)13)8(11)4-6/h2-5,9-10,15H,14H2,1H3
InChIKeyHQPATBHVESGGRI-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-fluorophenol
CID 171266739
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
(1S)-1-[4-(difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511140
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
CID 162344451
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol (CID 84684485) is 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol is CC(N)C(O)c1ccc(C(F)F)c(F)c1.
What is the InChIKey of 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol?
The InChIKey is HQPATBHVESGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-5(14)9(15)6-2-3-7(10(12)13)8(11)4-6/h2-5,9-10,15H,14H2,1H3.
What are the key properties of 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol?
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol is sourced from PubChem (CID 84684485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).