[2-(difluoromethyl)phenyl]methanamine

C8H9F2N — CID 71306246

IUPAC[2-(difluoromethyl)phenyl]methanamine
SMILESNCc1ccccc1C(F)F
InChIInChI=1S/C8H9F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H,5,11H2
InChIKeyKMFXUUBMQYTOGY-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.08
Rot. Bonds2

About [2-(difluoromethyl)phenyl]methanamine

[2-(difluoromethyl)phenyl]methanamine (PubChem CID 71306246) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is [2-(difluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)phenyl]methanamine
PubChem CID71306246
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name[2-(difluoromethyl)phenyl]methanamine
SMILESNCc1ccccc1C(F)F
InChIInChI=1S/C8H9F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H,5,11H2
InChIKeyKMFXUUBMQYTOGY-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(difluoromethyl)phenyl]methanamine (CID 71306246) is [2-(difluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)phenyl]methanamine is NCc1ccccc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)phenyl]methanamine?
The InChIKey is KMFXUUBMQYTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H,5,11H2.
What are the key properties of [2-(difluoromethyl)phenyl]methanamine?
[2-(difluoromethyl)phenyl]methanamine has a molecular weight of 157.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)phenyl]methanamine is sourced from PubChem (CID 71306246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).