(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine

C10H8F7N — CID 171209484

IUPAC(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F7N/c11-7-3-5(8(18)4-9(12,13)14)1-2-6(7)10(15,16)17/h1-3,8H,4,18H2/t8-/m1/s1
InChIKeyABONYPJCPIJBCM-MRVPVSSYSA-N
MW275.17 g/mol
LogP3.80
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine

(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 171209484) has the molecular formula C10H8F7N and a molecular weight of 275.17 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID171209484
Molecular FormulaC10H8F7N
Molecular Weight275.17 g/mol
Exact Mass275.05
IUPAC Name(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F7N/c11-7-3-5(8(18)4-9(12,13)14)1-2-6(7)10(15,16)17/h1-3,8H,4,18H2/t8-/m1/s1
InChIKeyABONYPJCPIJBCM-MRVPVSSYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
2-(2-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288822
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methoxypentan-1-amine
CID 107291749
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine (CID 171209484) is (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine is N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is ABONYPJCPIJBCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F7N/c11-7-3-5(8(18)4-9(12,13)14)1-2-6(7)10(15,16)17/h1-3,8H,4,18H2/t8-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine?
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 275.17 g/mol, XLogP of 3.80, 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-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 171209484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).