(3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan

C8H7F3O — CID 163721218

IUPAC(3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan
SMILESC=C(/C=C1/C=COC1)C(F)(F)F
InChIInChI=1S/C8H7F3O/c1-6(8(9,10)11)4-7-2-3-12-5-7/h2-4H,1,5H2/b7-4-
InChIKeyKRTMSQCSLIJJKT-DAXSKMNVSA-N
MW176.14 g/mol
LogP2.58
Rot. Bonds1

About (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan

(3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan (PubChem CID 163721218) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan.

Molecular Properties

Compound Name(3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan
PubChem CID163721218
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name(3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan
SMILESC=C(/C=C1/C=COC1)C(F)(F)F
InChIInChI=1S/C8H7F3O/c1-6(8(9,10)11)4-7-2-3-12-5-7/h2-4H,1,5H2/b7-4-
InChIKeyKRTMSQCSLIJJKT-DAXSKMNVSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan?
The IUPAC name of (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan (CID 163721218) is (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan.
What is the SMILES notation for (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan?
The canonical SMILES for (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan is C=C(/C=C1/C=COC1)C(F)(F)F.
What is the InChIKey of (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan?
The InChIKey is KRTMSQCSLIJJKT-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H7F3O/c1-6(8(9,10)11)4-7-2-3-12-5-7/h2-4H,1,5H2/b7-4-.
What are the key properties of (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan?
(3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan has a molecular weight of 176.14 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(trifluoromethyl)prop-2-enylidene]furan is sourced from PubChem (CID 163721218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).