[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine

C14H12F3NO — CID 79886217

IUPAC[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(F)c(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-11-3-1-9(2-4-11)8-19-14-12(16)5-10(7-18)6-13(14)17/h1-6H,7-8,18H2
InChIKeyUGIPLDAJQOCXRQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.14
Rot. Bonds4

About [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine

[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 79886217) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID79886217
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(F)c(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-11-3-1-9(2-4-11)8-19-14-12(16)5-10(7-18)6-13(14)17/h1-6H,7-8,18H2
InChIKeyUGIPLDAJQOCXRQ-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

[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 69248069
[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine (CID 79886217) is [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine is NCc1cc(F)c(OCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is UGIPLDAJQOCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-11-3-1-9(2-4-11)8-19-14-12(16)5-10(7-18)6-13(14)17/h1-6H,7-8,18H2.
What are the key properties of [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine?
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]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 [3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 79886217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).