1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine

C15H16F2N2 — CID 115524370

IUPAC1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
SMILESNCC(Nc1ccccc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H16F2N2/c16-15(17)12-8-6-11(7-9-12)14(10-18)19-13-4-2-1-3-5-13/h1-9,14-15,19H,10,18H2
InChIKeyGOEVMHQWYZKOFH-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.74
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine

1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine (PubChem CID 115524370) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
PubChem CID115524370
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
SMILESNCC(Nc1ccccc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H16F2N2/c16-15(17)12-8-6-11(7-9-12)14(10-18)19-13-4-2-1-3-5-13/h1-9,14-15,19H,10,18H2
InChIKeyGOEVMHQWYZKOFH-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine (CID 115524370) is 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine is NCC(Nc1ccccc1)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine?
The InChIKey is GOEVMHQWYZKOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c16-15(17)12-8-6-11(7-9-12)14(10-18)19-13-4-2-1-3-5-13/h1-9,14-15,19H,10,18H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine?
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine is sourced from PubChem (CID 115524370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).