4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride

C9H11Cl2F2NO — CID 171312952

IUPAC4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H10ClF2NO.ClH/c10-6-3-5(1-2-8(6)14)7(13)4-9(11)12;/h1-3,7,9,14H,4,13H2;1H/t7-;/m0./s1
InChIKeyQYSKBLNZVLTKLI-FJXQXJEOSA-N
MW258.10 g/mol
LogP3.12
Rot. Bonds3

About 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride

4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride (PubChem CID 171312952) has the molecular formula C9H11Cl2F2NO and a molecular weight of 258.10 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
PubChem CID171312952
Molecular FormulaC9H11Cl2F2NO
Molecular Weight258.10 g/mol
Exact Mass257.02
IUPAC Name4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H10ClF2NO.ClH/c10-6-3-5(1-2-8(6)14)7(13)4-9(11)12;/h1-3,7,9,14H,4,13H2;1H/t7-;/m0./s1
InChIKeyQYSKBLNZVLTKLI-FJXQXJEOSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
CID 131499575
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
4-[(1S)-1-amino-3,3-difluoropropyl]-2-nitrophenol;hydrochloride
CID 171312862
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 55272146
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786
ethyl (3S)-3-amino-3-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171247191
2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol
CID 80605831
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride (CID 171312952) is 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride is Cl.N[C@@H](CC(F)F)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride?
The InChIKey is QYSKBLNZVLTKLI-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H10ClF2NO.ClH/c10-6-3-5(1-2-8(6)14)7(13)4-9(11)12;/h1-3,7,9,14H,4,13H2;1H/t7-;/m0./s1.
What are the key properties of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride?
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride has a molecular weight of 258.10 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride is sourced from PubChem (CID 171312952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).