[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol

C12H11F2NO2 — CID 64578011

IUPAC[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H11F2NO2/c13-8-3-9(14)5-10(4-8)15-6-11-1-2-12(7-16)17-11/h1-5,15-16H,6-7H2
InChIKeyXOOBRFQNSXFMMD-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.66
Rot. Bonds4

About [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol

[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol (PubChem CID 64578011) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
PubChem CID64578011
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H11F2NO2/c13-8-3-9(14)5-10(4-8)15-6-11-1-2-12(7-16)17-11/h1-5,15-16H,6-7H2
InChIKeyXOOBRFQNSXFMMD-UHFFFAOYSA-N
XLogP2.66
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
CID 107643965
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
[5-[[(5-fluoro-2-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 115925040
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
CID 64579556
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604
[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
CID 82811906
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol (CID 64578011) is [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2cc(F)cc(F)c2)o1.
What is the InChIKey of [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol?
The InChIKey is XOOBRFQNSXFMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c13-8-3-9(14)5-10(4-8)15-6-11-1-2-12(7-16)17-11/h1-5,15-16H,6-7H2.
What are the key properties of [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol?
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol has a molecular weight of 239.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).