(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride

C10H13ClF3N — CID 171313633

IUPAC(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1c(F)cccc1[C@H](N)CC(F)F.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-6-7(3-2-4-8(6)11)9(14)5-10(12)13;/h2-4,9-10H,5,14H2,1H3;1H/t9-;/m1./s1
InChIKeyBGZLQOAPEYRZQE-SBSPUUFOSA-N
MW239.67 g/mol
LogP3.21
Rot. Bonds3

About (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride

(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171313633) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171313633
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1c(F)cccc1[C@H](N)CC(F)F.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-6-7(3-2-4-8(6)11)9(14)5-10(12)13;/h2-4,9-10H,5,14H2,1H3;1H/t9-;/m1./s1
InChIKeyBGZLQOAPEYRZQE-SBSPUUFOSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
(1S)-1-(3-fluoro-2-methylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171223401
(1R)-1-(3-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171203806
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(1S)-1-(3-fluoro-2-methylphenyl)but-3-en-1-amine
CID 131079548
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride (CID 171313633) is (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride is Cc1c(F)cccc1[C@H](N)CC(F)F.Cl.
What is the InChIKey of (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is BGZLQOAPEYRZQE-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12F3N.ClH/c1-6-7(3-2-4-8(6)11)9(14)5-10(12)13;/h2-4,9-10H,5,14H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171313633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).