(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine

C12H13F4N — CID 171211426

IUPAC(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@H](CC1CC1)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C12H13F4N/c13-9-3-1-2-8(11(9)12(14,15)16)10(17)6-7-4-5-7/h1-3,7,10H,4-6,17H2/t10-/m1/s1
InChIKeyNXRIVLFCGSCNIO-SNVBAGLBSA-N
MW247.23 g/mol
LogP3.64
Rot. Bonds3

About (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine

(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 171211426) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
PubChem CID171211426
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@H](CC1CC1)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C12H13F4N/c13-9-3-1-2-8(11(9)12(14,15)16)10(17)6-7-4-5-7/h1-3,7,10H,4-6,17H2/t10-/m1/s1
InChIKeyNXRIVLFCGSCNIO-SNVBAGLBSA-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)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
(1R)-1-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-en-1-amine;hydrochloride
CID 171211419
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171231037
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171231044
(1R)-1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171211425
1-[(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171172358
(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 171209533
(1R)-1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine
CID 171211447
1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
CID 105119564
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 171211790
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine (CID 171211426) is (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine is N[C@H](CC1CC1)c1cccc(F)c1C(F)(F)F.
What is the InChIKey of (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NXRIVLFCGSCNIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F4N/c13-9-3-1-2-8(11(9)12(14,15)16)10(17)6-7-4-5-7/h1-3,7,10H,4-6,17H2/t10-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
(1R)-2-cyclopropyl-1-[3-fluoro-2-(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-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 171211426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).