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

C15H12F5N — CID 43248519

IUPAC2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
SMILESNC(c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H12F5N/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
InChIKeyVGPFHKWKUIGQAY-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.55
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine (PubChem CID 43248519) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
PubChem CID43248519
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
SMILESNC(c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H12F5N/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
InChIKeyVGPFHKWKUIGQAY-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.55
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

(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171312478
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
CID 171311499
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 171312213
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171311910
(1R)-2,2,3,3,3-pentafluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine;hydrochloride
CID 171312442
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
3,3,3-trifluoro-2-(4-phenylphenyl)propan-1-amine
CID 121467476
(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 171312443
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
2-ethyl-2-methoxy-1-(4-phenylphenyl)butan-1-amine
CID 116760612

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine (CID 43248519) is 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine is NC(c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine?
The InChIKey is VGPFHKWKUIGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/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.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine?
2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine has a molecular weight of 301.26 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine is sourced from PubChem (CID 43248519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).