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

C10H11F4N — CID 62790891

IUPAC3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
SMILESCc1ccc(F)c(C(N)CC(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-6-2-3-8(11)7(4-6)9(15)5-10(12,13)14/h2-4,9H,5,15H2,1H3
InChIKeyYLDYEISSHYQKOG-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.09
Rot. Bonds2

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

3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine (PubChem CID 62790891) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
PubChem CID62790891
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
SMILESCc1ccc(F)c(C(N)CC(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-6-2-3-8(11)7(4-6)9(15)5-10(12,13)14/h2-4,9H,5,15H2,1H3
InChIKeyYLDYEISSHYQKOG-UHFFFAOYSA-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

1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171209536
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-5-methylphenol;hydrochloride
CID 171232014
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 131081700
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine (CID 62790891) is 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine is Cc1ccc(F)c(C(N)CC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
The InChIKey is YLDYEISSHYQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-6-2-3-8(11)7(4-6)9(15)5-10(12,13)14/h2-4,9H,5,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
3,3,3-trifluoro-1-(2-fluoro-5-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 3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 62790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).