(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine

C10H8F3N — CID 164564284

IUPAC(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine
SMILESC#C[C@@H](N)c1cccc(C(F)F)c1F
InChIInChI=1S/C10H8F3N/c1-2-8(14)6-4-3-5-7(9(6)11)10(12)13/h1,3-5,8,10H,14H2/t8-/m1/s1
InChIKeyYIBRYUYQEVJOBW-MRVPVSSYSA-N
MW199.18 g/mol
LogP2.40
Rot. Bonds2

About (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine

(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine (PubChem CID 164564284) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine
PubChem CID164564284
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine
SMILESC#C[C@@H](N)c1cccc(C(F)F)c1F
InChIInChI=1S/C10H8F3N/c1-2-8(14)6-4-3-5-7(9(6)11)10(12)13/h1,3-5,8,10H,14H2/t8-/m1/s1
InChIKeyYIBRYUYQEVJOBW-MRVPVSSYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
(1S)-1-(2-chlorophenyl)prop-2-yn-1-amine
CID 97000228
1-(2-methylsulfanylphenyl)prop-2-yn-1-amine
CID 104995908
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 114885910
(1R)-1-(4-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 97000239
1-(2-bromo-3-fluorophenyl)but-3-yn-1-amine
CID 114977875
1-(2-bromo-4,5-difluorophenyl)prop-2-yn-1-amine
CID 130543156
2-chloro-6-(difluoromethyl)aniline
CID 84656251
(2S)-2-acetamidopropanoic acid;(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine
CID 175847795

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine (CID 164564284) is (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine is C#C[C@@H](N)c1cccc(C(F)F)c1F.
What is the InChIKey of (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is YIBRYUYQEVJOBW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F3N/c1-2-8(14)6-4-3-5-7(9(6)11)10(12)13/h1,3-5,8,10H,14H2/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine?
(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 199.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 164564284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).