1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

C11H13F4N — CID 147165648

IUPAC1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1CC(F)(F)F
InChIInChI=1S/C11H13F4N/c1-7(16)4-9-5-10(12)3-2-8(9)6-11(13,14)15/h2-3,5,7H,4,6,16H2,1H3
InChIKeyBWSGTOFEVICYLG-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.82
Rot. Bonds3

About 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (PubChem CID 147165648) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
PubChem CID147165648
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1CC(F)(F)F
InChIInChI=1S/C11H13F4N/c1-7(16)4-9-5-10(12)3-2-8(9)6-11(13,14)15/h2-3,5,7H,4,6,16H2,1H3
InChIKeyBWSGTOFEVICYLG-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[5-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 107700941
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (CID 147165648) is 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1CC(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The InChIKey is BWSGTOFEVICYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-7(16)4-9-5-10(12)3-2-8(9)6-11(13,14)15/h2-3,5,7H,4,6,16H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine has a molecular weight of 235.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 147165648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).