3-(trifluoromethyl)furan

C5H3F3O — CID 13499057

IUPAC3-(trifluoromethyl)furan
SMILESFC(F)(F)c1ccoc1
InChIInChI=1S/C5H3F3O/c6-5(7,8)4-1-2-9-3-4/h1-3H
InChIKeyWKUVLWBACOEEFM-UHFFFAOYSA-N
MW136.07 g/mol
LogP2.30
Rot. Bonds

About 3-(trifluoromethyl)furan

3-(trifluoromethyl)furan (PubChem CID 13499057) has the molecular formula C5H3F3O and a molecular weight of 136.07 g/mol. Its IUPAC name is 3-(trifluoromethyl)furan.

Molecular Properties

Compound Name3-(trifluoromethyl)furan
PubChem CID13499057
Molecular FormulaC5H3F3O
Molecular Weight136.07 g/mol
Exact Mass136.01
IUPAC Name3-(trifluoromethyl)furan
SMILESFC(F)(F)c1ccoc1
InChIInChI=1S/C5H3F3O/c6-5(7,8)4-1-2-9-3-4/h1-3H
InChIKeyWKUVLWBACOEEFM-UHFFFAOYSA-N
XLogP2.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.07
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Furan
CID 8029
3-Methylfuran
CID 13587
3-Furaldehyde
CID 10351
2-Furylmercury chloride
CID 22131
Furan-3-carbonitrile
CID 100698
3-Vinylfuran
CID 181887
2-Iodofuran
CID 11564629
Furan-d4
CID 2733420
Furan, 3-iodo-
CID 141464
3-(Bromomethyl)furan
CID 11094934
3-Ethynylfuran
CID 11105310
3-Fluorofuran
CID 14786534

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)furan?
The IUPAC name of 3-(trifluoromethyl)furan (CID 13499057) is 3-(trifluoromethyl)furan.
What is the SMILES notation for 3-(trifluoromethyl)furan?
The canonical SMILES for 3-(trifluoromethyl)furan is FC(F)(F)c1ccoc1.
What is the InChIKey of 3-(trifluoromethyl)furan?
The InChIKey is WKUVLWBACOEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O/c6-5(7,8)4-1-2-9-3-4/h1-3H.
What are the key properties of 3-(trifluoromethyl)furan?
3-(trifluoromethyl)furan has a molecular weight of 136.07 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)furan is sourced from PubChem (CID 13499057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).