[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine

C15H14F3NO — CID 116788616

IUPAC[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(OCC(F)(F)c2ccccc2)c1
InChIInChI=1S/C15H14F3NO/c16-13-6-11(9-19)7-14(8-13)20-10-15(17,18)12-4-2-1-3-5-12/h1-8H,9-10,19H2
InChIKeyONYGNFLZAGUOTH-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.46
Rot. Bonds5

About [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine

[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine (PubChem CID 116788616) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
PubChem CID116788616
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(OCC(F)(F)c2ccccc2)c1
InChIInChI=1S/C15H14F3NO/c16-13-6-11(9-19)7-14(8-13)20-10-15(17,18)12-4-2-1-3-5-12/h1-8H,9-10,19H2
InChIKeyONYGNFLZAGUOTH-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
CID 106704805
[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine
CID 116788441
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
(1S)-1-[2-(2,2-difluoro-2-phenylethoxy)-4-fluorophenyl]ethanamine
CID 104893336
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
2-(2,2-difluoro-2-phenylethoxy)ethanamine
CID 116789855
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
3,5-dichloro-4-(2,2-difluoro-2-phenylethoxy)aniline
CID 116788470
1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine
CID 116790211
1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 116789730

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine (CID 116788616) is [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine is NCc1cc(F)cc(OCC(F)(F)c2ccccc2)c1.
What is the InChIKey of [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine?
The InChIKey is ONYGNFLZAGUOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-13-6-11(9-19)7-14(8-13)20-10-15(17,18)12-4-2-1-3-5-12/h1-8H,9-10,19H2.
What are the key properties of [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine?
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 116788616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).