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

C8H7F4NO — CID 130837574

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

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

[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine (PubChem CID 130837574) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
PubChem CID130837574
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
SMILESNCc1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C8H7F4NO/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-2,8H,3,13H2
InChIKeyHNUYDRMROBHKSM-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

[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
CID 130934033
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
CID 118836171
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988
2-[3-(difluoromethoxy)-6-fluoro-2-nitrophenyl]acetic acid
CID 171032012
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid
CID 170872496
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
3-[6-(difluoromethoxy)-2,3-difluorophenyl]-2-phenylprop-2-enamide
CID 68756761
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide
CID 69114960

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine?
The IUPAC name of [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine (CID 130837574) is [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine.
What is the SMILES notation for [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine?
The canonical SMILES for [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine is NCc1c(OC(F)F)ccc(F)c1F.
What is the InChIKey of [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine?
The InChIKey is HNUYDRMROBHKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-2,8H,3,13H2.
What are the key properties of [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine?
[6-(difluoromethoxy)-2,3-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 [6-(difluoromethoxy)-2,3-difluorophenyl]methanamine is sourced from PubChem (CID 130837574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).