2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan

C14H11F3O — CID 134300663

IUPAC2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan
SMILESC/C=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H11F3O/c1-2-4-12-7-8-13(18-12)10-5-3-6-11(9-10)14(15,16)17/h2-9H,1H3/b4-2-
InChIKeyBIGCPVAAWZUBAN-RQOWECAXSA-N
MW252.24 g/mol
LogP5.00
Rot. Bonds2

About 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan

2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan (PubChem CID 134300663) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan
PubChem CID134300663
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan
SMILESC/C=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H11F3O/c1-2-4-12-7-8-13(18-12)10-5-3-6-11(9-10)14(15,16)17/h2-9H,1H3/b4-2-
InChIKeyBIGCPVAAWZUBAN-RQOWECAXSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan (CID 134300663) is 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan is C/C=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan?
The InChIKey is BIGCPVAAWZUBAN-RQOWECAXSA-N. The full InChI is InChI=1S/C14H11F3O/c1-2-4-12-7-8-13(18-12)10-5-3-6-11(9-10)14(15,16)17/h2-9H,1H3/b4-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan?
2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan has a molecular weight of 252.24 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 134300663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).