2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol

C9H10F3NO — CID 130874631

IUPAC2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
SMILESNC(CO)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C9H10F3NO/c10-7-3-9(12)8(11)2-5(7)1-6(13)4-14/h2-3,6,14H,1,4,13H2
InChIKeyGLRDZGFRPKYZGD-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol

2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol (PubChem CID 130874631) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
PubChem CID130874631
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
SMILESNC(CO)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C9H10F3NO/c10-7-3-9(12)8(11)2-5(7)1-6(13)4-14/h2-3,6,14H,1,4,13H2
InChIKeyGLRDZGFRPKYZGD-UHFFFAOYSA-N
XLogP0.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CID 7146283
3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CID 174927990
4-amino-5-(2,4,5-trifluorophenyl)pentan-2-one
CID 76606923
(2R)-2-amino-3-(2,4,5-trifluorophenyl)propane-1,1-diol
CID 118888699
3-amino-1-(methylamino)-4-(2,4,5-trifluorophenyl)butan-1-ol
CID 123927783
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
CID 170892136
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
butyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate
CID 129041483
3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide
CID 169187552

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol (CID 130874631) is 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol is NC(CO)Cc1cc(F)c(F)cc1F.
What is the InChIKey of 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol?
The InChIKey is GLRDZGFRPKYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-7-3-9(12)8(11)2-5(7)1-6(13)4-14/h2-3,6,14H,1,4,13H2.
What are the key properties of 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol?
2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol has a molecular weight of 205.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 130874631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).