4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol

C11H15F2NO — CID 131374162

IUPAC4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol
SMILESCc1cc([C@H](N)CC(F)F)cc(C)c1O
InChIInChI=1S/C11H15F2NO/c1-6-3-8(4-7(2)11(6)15)9(14)5-10(12)13/h3-4,9-10,15H,5,14H2,1-2H3/t9-/m1/s1
InChIKeySIYFPVVLLIIXPQ-SECBINFHSA-N
MW215.24 g/mol
LogP2.66
Rot. Bonds3

About 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol

4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol (PubChem CID 131374162) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol
PubChem CID131374162
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol
SMILESCc1cc([C@H](N)CC(F)F)cc(C)c1O
InChIInChI=1S/C11H15F2NO/c1-6-3-8(4-7(2)11(6)15)9(14)5-10(12)13/h3-4,9-10,15H,5,14H2,1-2H3/t9-/m1/s1
InChIKeySIYFPVVLLIIXPQ-SECBINFHSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-3-methylbutyl]-2,6-dimethylphenol;hydrochloride
CID 171224632
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
4-[(1S)-1-amino-3,3-difluoropropyl]-2,6-dimethoxyphenol
CID 171312856
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
4-[(1R)-1-amino-3-methylbut-3-enyl]-2,6-dimethylphenol;hydrochloride
CID 171205077
(1S)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-2,6-dimethylphenol
CID 171268127

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol (CID 131374162) is 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol is Cc1cc([C@H](N)CC(F)F)cc(C)c1O.
What is the InChIKey of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol?
The InChIKey is SIYFPVVLLIIXPQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-6-3-8(4-7(2)11(6)15)9(14)5-10(12)13/h3-4,9-10,15H,5,14H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol?
4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol has a molecular weight of 215.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol is sourced from PubChem (CID 131374162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).