[3-(difluoromethoxy)phenyl]methanamine

C8H9F2NO — CID 2063350

IUPAC[3-(difluoromethoxy)phenyl]methanamine
SMILESNCc1cccc(OC(F)F)c1
InChIInChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2
InChIKeySYAQBBDPVPDVLJ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.75
Rot. Bonds3

About [3-(difluoromethoxy)phenyl]methanamine

[3-(difluoromethoxy)phenyl]methanamine (PubChem CID 2063350) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]methanamine
PubChem CID2063350
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name[3-(difluoromethoxy)phenyl]methanamine
SMILESNCc1cccc(OC(F)F)c1
InChIInChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2
InChIKeySYAQBBDPVPDVLJ-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of [3-(difluoromethoxy)phenyl]methanamine (CID 2063350) is [3-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for [3-(difluoromethoxy)phenyl]methanamine is NCc1cccc(OC(F)F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]methanamine?
The InChIKey is SYAQBBDPVPDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2.
What are the key properties of [3-(difluoromethoxy)phenyl]methanamine?
[3-(difluoromethoxy)phenyl]methanamine has a molecular weight of 173.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 2063350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).