[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol

C13H12F3NO3 — CID 64578774

IUPAC[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)20-10-3-1-9(2-4-10)17-7-11-5-6-12(8-18)19-11/h1-6,17-18H,7-8H2
InChIKeyYATMPSXYWMVHOU-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.28
Rot. Bonds5

About [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol

[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol (PubChem CID 64578774) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
PubChem CID64578774
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)20-10-3-1-9(2-4-10)17-7-11-5-6-12(8-18)19-11/h1-6,17-18H,7-8H2
InChIKeyYATMPSXYWMVHOU-UHFFFAOYSA-N
XLogP3.28
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-nitrofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43760615
[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol
CID 167771250
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
5-[[4-(trifluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104607970
[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
CID 82811906
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 43766190
N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline
CID 62345950
N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 60972691

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol (CID 64578774) is [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol?
The InChIKey is YATMPSXYWMVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)20-10-3-1-9(2-4-10)17-7-11-5-6-12(8-18)19-11/h1-6,17-18H,7-8H2.
What are the key properties of [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol?
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol has a molecular weight of 287.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).