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

C10H8ClF8N — CID 171311703

IUPAC(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F8N.ClH/c11-8(12,10(16,17)18)7(19)5-3-1-2-4-6(5)9(13,14)15;/h1-4,7H,19H2;1H/t7-;/m0./s1
InChIKeyOQRZZYIYDSIMLP-FJXQXJEOSA-N
MW329.62 g/mol
LogP4.32
Rot. Bonds2

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

(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 171311703) has the molecular formula C10H8ClF8N and a molecular weight of 329.62 g/mol. Its IUPAC name is (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID171311703
Molecular FormulaC10H8ClF8N
Molecular Weight329.62 g/mol
Exact Mass329.02
IUPAC Name(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F8N.ClH/c11-8(12,10(16,17)18)7(19)5-3-1-2-4-6(5)9(13,14)15;/h1-4,7H,19H2;1H/t7-;/m0./s1
InChIKeyOQRZZYIYDSIMLP-FJXQXJEOSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.32
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

(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311801
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 171311703) is (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is Cl.N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is OQRZZYIYDSIMLP-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H7F8N.ClH/c11-8(12,10(16,17)18)7(19)5-3-1-2-4-6(5)9(13,14)15;/h1-4,7H,19H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 329.62 g/mol, XLogP of 4.32, 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-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171311703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).