[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine

C8H7F4NO — CID 130934033

IUPAC[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
SMILESNCc1c(F)ccc(OC(F)F)c1F
InChIInChI=1S/C8H7F4NO/c9-5-1-2-6(14-8(11)12)7(10)4(5)3-13/h1-2,8H,3,13H2
InChIKeyNQWMLIJAQAWBHT-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.02
Rot. Bonds3

About [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine

[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine (PubChem CID 130934033) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
PubChem CID130934033
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
SMILESNCc1c(F)ccc(OC(F)F)c1F
InChIInChI=1S/C8H7F4NO/c9-5-1-2-6(14-8(11)12)7(10)4(5)3-13/h1-2,8H,3,13H2
InChIKeyNQWMLIJAQAWBHT-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
CID 130837574
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
CID 118836171
1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
CID 171031684
2-[3-(difluoromethoxy)-6-fluoro-2-nitrophenyl]acetic acid
CID 171032012
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
(3,6-difluoro-2-iodophenyl)methanamine
CID 171014963
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine?
The IUPAC name of [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine (CID 130934033) is [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine.
What is the SMILES notation for [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine?
The canonical SMILES for [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine is NCc1c(F)ccc(OC(F)F)c1F.
What is the InChIKey of [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine?
The InChIKey is NQWMLIJAQAWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-5-1-2-6(14-8(11)12)7(10)4(5)3-13/h1-2,8H,3,13H2.
What are the key properties of [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine?
[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine has a molecular weight of 209.14 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-2,6-difluorophenyl]methanamine is sourced from PubChem (CID 130934033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).