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

C11H10F7N — CID 107289147

IUPAC4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H10F7N/c12-8-5-6(1-2-7(8)11(16,17)18)9(19)3-4-10(13,14)15/h1-2,5,9H,3-4,19H2
InChIKeyMZHJIPWUYSRWTM-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.19
Rot. Bonds3

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

4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 107289147) has the molecular formula C11H10F7N and a molecular weight of 289.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID107289147
Molecular FormulaC11H10F7N
Molecular Weight289.19 g/mol
Exact Mass289.07
IUPAC Name4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H10F7N/c12-8-5-6(1-2-7(8)11(16,17)18)9(19)3-4-10(13,14)15/h1-2,5,9H,3-4,19H2
InChIKeyMZHJIPWUYSRWTM-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methoxypentan-1-amine
CID 107291749
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922
(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]-3-(oxolan-2-yl)propan-1-amine
CID 107291454
5-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-fluorobenzonitrile
CID 171210977
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine (CID 107289147) is 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine is NC(CCC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is MZHJIPWUYSRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7N/c12-8-5-6(1-2-7(8)11(16,17)18)9(19)3-4-10(13,14)15/h1-2,5,9H,3-4,19H2.
What are the key properties of 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 289.19 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 107289147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).