[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine

C13H10F4N2 — CID 102708717

IUPAC[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
SMILESNCc1ccc(F)c(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2/c14-12-2-1-8(6-18)5-9(12)10-7-19-4-3-11(10)13(15,16)17/h1-5,7H,6,18H2
InChIKeyBVIQDOPEWHJUJZ-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.37
Rot. Bonds2

About [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine

[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine (PubChem CID 102708717) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
PubChem CID102708717
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
SMILESNCc1ccc(F)c(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2/c14-12-2-1-8(6-18)5-9(12)10-7-19-4-3-11(10)13(15,16)17/h1-5,7H,6,18H2
InChIKeyBVIQDOPEWHJUJZ-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine (CID 102708717) is [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine is NCc1ccc(F)c(-c2cnccc2C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The InChIKey is BVIQDOPEWHJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c14-12-2-1-8(6-18)5-9(12)10-7-19-4-3-11(10)13(15,16)17/h1-5,7H,6,18H2.
What are the key properties of [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine has a molecular weight of 270.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine is sourced from PubChem (CID 102708717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).