(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine

C12H13F4N — CID 171209533

IUPAC(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@H](CC1CC1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H13F4N/c13-10-4-3-8(12(14,15)16)6-9(10)11(17)5-7-1-2-7/h3-4,6-7,11H,1-2,5,17H2/t11-/m1/s1
InChIKeyFEFYMXYJQPLGAQ-LLVKDONJSA-N
MW247.23 g/mol
LogP3.64
Rot. Bonds3

About (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine

(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 171209533) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID171209533
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@H](CC1CC1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H13F4N/c13-10-4-3-8(12(14,15)16)6-9(10)11(17)5-7-1-2-7/h3-4,6-7,11H,1-2,5,17H2/t11-/m1/s1
InChIKeyFEFYMXYJQPLGAQ-LLVKDONJSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
1-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79016459
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171209536
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
[cyclopropyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250205
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanamine
CID 115846640
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249581
(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine (CID 171209533) is (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine is N[C@H](CC1CC1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FEFYMXYJQPLGAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F4N/c13-10-4-3-8(12(14,15)16)6-9(10)11(17)5-7-1-2-7/h3-4,6-7,11H,1-2,5,17H2/t11-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 247.23 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 171209533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).