2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol

C9H10F3NO — CID 84672949

IUPAC2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol
SMILESNCC(O)c1cc(CF)cc(F)c1F
InChIInChI=1S/C9H10F3NO/c10-3-5-1-6(8(14)4-13)9(12)7(11)2-5/h1-2,8,14H,3-4,13H2
InChIKeyBXPJVWSCOSVMDL-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol

2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol (PubChem CID 84672949) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol
PubChem CID84672949
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol
SMILESNCC(O)c1cc(CF)cc(F)c1F
InChIInChI=1S/C9H10F3NO/c10-3-5-1-6(8(14)4-13)9(12)7(11)2-5/h1-2,8,14H,3-4,13H2
InChIKeyBXPJVWSCOSVMDL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
3-[2,3-difluoro-5-(fluoromethyl)phenyl]butanal
CID 117307817
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316
3-cyclopropyl-3-[2,3-difluoro-5-(fluoromethyl)phenyl]propanoic acid
CID 117398801
1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
CID 23325936
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
CID 107643986
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
ethyl 3-[3,4-difluoro-5-[(1S)-1-hydroxy-2-iodoethyl]phenyl]propanoate
CID 68794275

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol (CID 84672949) is 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol is NCC(O)c1cc(CF)cc(F)c1F.
What is the InChIKey of 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol?
The InChIKey is BXPJVWSCOSVMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-3-5-1-6(8(14)4-13)9(12)7(11)2-5/h1-2,8,14H,3-4,13H2.
What are the key properties of 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol?
2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol is sourced from PubChem (CID 84672949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).