(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine

C10H7F8N — CID 171311708

IUPAC(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F8N/c11-8(12,10(16,17)18)7(19)5-2-1-3-6(4-5)9(13,14)15/h1-4,7H,19H2/t7-/m0/s1
InChIKeyDMLGKWXNGNODMT-ZETCQYMHSA-N
MW293.16 g/mol
LogP3.90
Rot. Bonds2

About (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine

(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 171311708) has the molecular formula C10H7F8N and a molecular weight of 293.16 g/mol. Its IUPAC name is (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID171311708
Molecular FormulaC10H7F8N
Molecular Weight293.16 g/mol
Exact Mass293.05
IUPAC Name(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F8N/c11-8(12,10(16,17)18)7(19)5-2-1-3-6(4-5)9(13,14)15/h1-4,7H,19H2/t7-/m0/s1
InChIKeyDMLGKWXNGNODMT-ZETCQYMHSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850671
(1S)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 97000209
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
CID 162573398
CID 162573398

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 171311708) is (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine is N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DMLGKWXNGNODMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H7F8N/c11-8(12,10(16,17)18)7(19)5-2-1-3-6(4-5)9(13,14)15/h1-4,7H,19H2/t7-/m0/s1.
What are the key properties of (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 293.16 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 171311708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).