2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine

C16H15F4N — CID 62621068

IUPAC2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)(Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15F4N/c1-15(21,13-3-2-4-14(17)9-13)10-11-5-7-12(8-6-11)16(18,19)20/h2-9H,10,21H2,1H3
InChIKeyUPUIZZXNBAVOSK-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.26
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine

2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 62621068) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID62621068
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)(Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15F4N/c1-15(21,13-3-2-4-14(17)9-13)10-11-5-7-12(8-6-11)16(18,19)20/h2-9H,10,21H2,1H3
InChIKeyUPUIZZXNBAVOSK-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
2-(3-fluorophenyl)pent-4-en-2-amine
CID 130059150
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
CID 114834072

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 62621068) is 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine is CC(N)(Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is UPUIZZXNBAVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-15(21,13-3-2-4-14(17)9-13)10-11-5-7-12(8-6-11)16(18,19)20/h2-9H,10,21H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 297.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 62621068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).