[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine

C14H12F3NO — CID 82919254

IUPAC[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C14H12F3NO/c15-12-4-1-9(5-14(12)17)8-19-11-3-2-10(7-18)13(16)6-11/h1-6H,7-8,18H2
InChIKeyFQXKZPJIBVIXOW-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.14
Rot. Bonds4

About [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine

[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine (PubChem CID 82919254) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
PubChem CID82919254
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C14H12F3NO/c15-12-4-1-9(5-14(12)17)8-19-11-3-2-10(7-18)13(16)6-11/h1-6H,7-8,18H2
InChIKeyFQXKZPJIBVIXOW-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
4-[(3,4-difluorophenoxy)methyl]-3-fluorobenzenecarbothioamide
CID 43554779
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 82915380
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine?
The IUPAC name of [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine (CID 82919254) is [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine?
The canonical SMILES for [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine is NCc1ccc(OCc2ccc(F)c(F)c2)cc1F.
What is the InChIKey of [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine?
The InChIKey is FQXKZPJIBVIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-12-4-1-9(5-14(12)17)8-19-11-3-2-10(7-18)13(16)6-11/h1-6H,7-8,18H2.
What are the key properties of [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine?
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine is sourced from PubChem (CID 82919254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).