2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride

C9H11ClF3NO — CID 171313455

IUPAC2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(F)ccc1O
InChIInChI=1S/C9H10F3NO.ClH/c10-5-1-2-8(14)6(3-5)7(13)4-9(11)12;/h1-3,7,9,14H,4,13H2;1H/t7-;/m1./s1
InChIKeySMMQVUFEGSTHAB-OGFXRTJISA-N
MW241.64 g/mol
LogP2.61
Rot. Bonds3

About 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride

2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride (PubChem CID 171313455) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
PubChem CID171313455
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(F)ccc1O
InChIInChI=1S/C9H10F3NO.ClH/c10-5-1-2-8(14)6(3-5)7(13)4-9(11)12;/h1-3,7,9,14H,4,13H2;1H/t7-;/m1./s1
InChIKeySMMQVUFEGSTHAB-OGFXRTJISA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.61
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

2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213
(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313161
2-(1-aminobut-3-enyl)-4-fluorophenol;hydrochloride
CID 162344629
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
CID 171198955
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
(1R)-3,3-difluoro-1-(5-fluoro-2-nitrophenyl)propan-1-amine;hydrochloride
CID 171313687
2-(1,2-diaminobutyl)-4-fluorophenol
CID 130898716
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride (CID 171313455) is 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride is Cl.N[C@H](CC(F)F)c1cc(F)ccc1O.
What is the InChIKey of 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride?
The InChIKey is SMMQVUFEGSTHAB-OGFXRTJISA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-5-1-2-8(14)6(3-5)7(13)4-9(11)12;/h1-3,7,9,14H,4,13H2;1H/t7-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride?
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171313455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).