[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine

C8H11F2NO2 — CID 82006755

IUPAC[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1COCC(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)5-12-4-7-6(3-11)1-2-13-7/h1-2,8H,3-5,11H2
InChIKeyFWTWKCYGZULNPH-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.52
Rot. Bonds5

About [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine

[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine (PubChem CID 82006755) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
PubChem CID82006755
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1COCC(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)5-12-4-7-6(3-11)1-2-13-7/h1-2,8H,3-5,11H2
InChIKeyFWTWKCYGZULNPH-UHFFFAOYSA-N
XLogP1.52
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine
CID 62456003
[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62457289
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
[2-(but-3-enoxymethyl)furan-3-yl]methanamine
CID 62440746
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107559173
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
CID 65125204
[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
CID 82003824
[2-(2-methylpropyl)furan-3-yl]methanamine
CID 82416814
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine (CID 82006755) is [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine is NCc1ccoc1COCC(F)F.
What is the InChIKey of [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine?
The InChIKey is FWTWKCYGZULNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)5-12-4-7-6(3-11)1-2-13-7/h1-2,8H,3-5,11H2.
What are the key properties of [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine?
[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine has a molecular weight of 191.18 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 82006755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).