2-[4-(difluoromethyl)phenyl]ethanamine

C9H11F2N — CID 55266061

IUPAC2-[4-(difluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2N/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,9H,5-6,12H2
InChIKeyCJYIGUCFLFKBJC-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(difluoromethyl)phenyl]ethanamine

2-[4-(difluoromethyl)phenyl]ethanamine (PubChem CID 55266061) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]ethanamine
PubChem CID55266061
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name2-[4-(difluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2N/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,9H,5-6,12H2
InChIKeyCJYIGUCFLFKBJC-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]ethanamine (CID 55266061) is 2-[4-(difluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]ethanamine is NCCc1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]ethanamine?
The InChIKey is CJYIGUCFLFKBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,9H,5-6,12H2.
What are the key properties of 2-[4-(difluoromethyl)phenyl]ethanamine?
2-[4-(difluoromethyl)phenyl]ethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 55266061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).