(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride

C15H13ClF5N — CID 171312478

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H12F5N.ClH/c16-14(17,15(18,19)20)13(21)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H,21H2;1H/t13-;/m1./s1
InChIKeyFPOKXAOBXBEKBV-BTQNPOSSSA-N
MW337.72 g/mol
LogP4.97
Rot. Bonds3

About (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride (PubChem CID 171312478) has the molecular formula C15H13ClF5N and a molecular weight of 337.72 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
PubChem CID171312478
Molecular FormulaC15H13ClF5N
Molecular Weight337.72 g/mol
Exact Mass337.07
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H12F5N.ClH/c16-14(17,15(18,19)20)13(21)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H,21H2;1H/t13-;/m1./s1
InChIKeyFPOKXAOBXBEKBV-BTQNPOSSSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 54.97
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

Benzhydrylamine
CID 7036
1-(4-Methylphenyl)ethylamine
CID 577386
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
1,2-Diphenylethylamine
CID 26482
4-Phenylbenzylamine
CID 344989
4-(Trifluoromethyl)benzylamine
CID 76804
1-Biphenyl-2-ylmethanamine
CID 263366
alpha-Methyl-4-(trifluoromethyl)benzeneethanamine
CID 121502
1,2-Diphenylethan-1-amine hydrochloride
CID 91161
5H-Dibenzo(a,d)cycloheptene, 5-amino-
CID 208163
(4-Phenylphenyl)methanamine hydrochloride
CID 18182529
1-{3'-Methyl-[1,1'-biphenyl]-4-yl}methanamine
CID 1393977

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride (CID 171312478) is (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride is Cl.N[C@H](c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride?
The InChIKey is FPOKXAOBXBEKBV-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H12F5N.ClH/c16-14(17,15(18,19)20)13(21)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H,21H2;1H/t13-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride has a molecular weight of 337.72 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).