(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine

C10H11F4N — CID 103694276

IUPAC(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1ccc(F)cc1[C@H](N)CC(F)(F)F
InChIInChI=1S/C10H11F4N/c1-6-2-3-7(11)4-8(6)9(15)5-10(12,13)14/h2-4,9H,5,15H2,1H3/t9-/m1/s1
InChIKeySFWGTXRIMZARTM-SECBINFHSA-N
MW221.20 g/mol
LogP3.09
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 103694276) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
PubChem CID103694276
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1ccc(F)cc1[C@H](N)CC(F)(F)F
InChIInChI=1S/C10H11F4N/c1-6-2-3-7(11)4-8(6)9(15)5-10(12,13)14/h2-4,9H,5,15H2,1H3/t9-/m1/s1
InChIKeySFWGTXRIMZARTM-SECBINFHSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224987
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(5-fluoro-2-methylphenyl)-5,5-dimethylhex-3-yn-1-amine
CID 114190249

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine (CID 103694276) is (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine is Cc1ccc(F)cc1[C@H](N)CC(F)(F)F.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is SFWGTXRIMZARTM-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F4N/c1-6-2-3-7(11)4-8(6)9(15)5-10(12,13)14/h2-4,9H,5,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine has a molecular weight of 221.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 103694276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).