[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol

C12H8F4O2 — CID 61228246

IUPAC[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C12H8F4O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-5,17H,6H2
InChIKeyBSRPKJBGAMDLOC-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.60
Rot. Bonds2

About [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol

[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol (PubChem CID 61228246) has the molecular formula C12H8F4O2 and a molecular weight of 260.19 g/mol. Its IUPAC name is [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
PubChem CID61228246
Molecular FormulaC12H8F4O2
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Name[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C12H8F4O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-5,17H,6H2
InChIKeyBSRPKJBGAMDLOC-UHFFFAOYSA-N
XLogP3.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63086504
3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 170875053
2-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]butanoic acid
CID 67022207
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
CID 107289734
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
1-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
CID 87651925
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
[5-(3-amino-4-methylphenyl)furan-2-yl]methanol
CID 2987173
[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol
CID 115564832
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732

Frequently Asked Questions

What is the IUPAC name of [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol?
The IUPAC name of [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol (CID 61228246) is [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol is OCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1.
What is the InChIKey of [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol?
The InChIKey is BSRPKJBGAMDLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-5,17H,6H2.
What are the key properties of [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol?
[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol has a molecular weight of 260.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol is sourced from PubChem (CID 61228246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).