6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol

C8H7ClF3NO — CID 130812665

IUPAC6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
SMILESN[C@H](c1ccc(F)c(Cl)c1O)C(F)F
InChIInChI=1S/C8H7ClF3NO/c9-5-4(10)2-1-3(7(5)14)6(13)8(11)12/h1-2,6,8,14H,13H2/t6-/m1/s1
InChIKeyRJCLEOFYGPEFBB-ZCFIWIBFSA-N
MW225.60 g/mol
LogP2.45
Rot. Bonds2

About 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol

6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol (PubChem CID 130812665) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol.

Molecular Properties

Compound Name6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
PubChem CID130812665
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
SMILESN[C@H](c1ccc(F)c(Cl)c1O)C(F)F
InChIInChI=1S/C8H7ClF3NO/c9-5-4(10)2-1-3(7(5)14)6(13)8(11)12/h1-2,6,8,14H,13H2/t6-/m1/s1
InChIKeyRJCLEOFYGPEFBB-ZCFIWIBFSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
CID 171257341
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
CID 131197380
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-difluorophenol
CID 130817233
6-[(1R)-1-amino-2,2-difluoroethyl]-3-chloro-2-fluorophenol
CID 130667212
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
CID 171257382
2-[(1S)-1-amino-2,2-difluoroethyl]-4-chloro-6-fluorophenol
CID 130817305
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255857
6-[(1R)-1-amino-2,2-difluoroethyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253422
6-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-2-fluorophenol
CID 131150588
(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol
CID 142148919
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol?
The IUPAC name of 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol (CID 130812665) is 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol.
What is the SMILES notation for 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol?
The canonical SMILES for 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol is N[C@H](c1ccc(F)c(Cl)c1O)C(F)F.
What is the InChIKey of 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol?
The InChIKey is RJCLEOFYGPEFBB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-5-4(10)2-1-3(7(5)14)6(13)8(11)12/h1-2,6,8,14H,13H2/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol?
6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol has a molecular weight of 225.60 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol is sourced from PubChem (CID 130812665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).