1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine

C15H12F5N — CID 107289695

IUPAC1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C15H12F5N/c1-21-8-9-2-5-13(16)11(6-9)10-3-4-12(14(17)7-10)15(18,19)20/h2-7,21H,8H2,1H3
InChIKeyZCGNBWBLTFCUHU-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.37
Rot. Bonds3

About 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine

1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 107289695) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
PubChem CID107289695
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C15H12F5N/c1-21-8-9-2-5-13(16)11(6-9)10-3-4-12(14(17)7-10)15(18,19)20/h2-7,21H,8H2,1H3
InChIKeyZCGNBWBLTFCUHU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methyl-N-naphthylmethylamine
CID 84474
Benzenemethanamine, N-methyl-4-(trifluoromethyl)-
CID 485420
2-Fluoro-N-methylbenzylamine
CID 2060842
N-(Diphenylmethyl)methylamine
CID 411467
Benzyl[(4-fluorophenyl)methyl]amine
CID 784761
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10375551
Benzenemethanamine, 3-fluoro-N-methyl-
CID 457577
Benzenemethanamine, N-methyl-3-(trifluoromethyl)-
CID 485414
1-(p-Fluorophenyl)-N-methylcyclohexylamine
CID 97168
((2,6-Difluorophenyl)methyl)(methyl)amine
CID 16790114
[3-(3-Methylphenyl)phenyl]methanamine
CID 1392314
1-{3'-Methyl-[1,1'-biphenyl]-4-yl}methanamine
CID 1393977

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine (CID 107289695) is 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is ZCGNBWBLTFCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c1-21-8-9-2-5-13(16)11(6-9)10-3-4-12(14(17)7-10)15(18,19)20/h2-7,21H,8H2,1H3.
What are the key properties of 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 301.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107289695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).