1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene

C4H4F4 — CID 19788900

IUPAC1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene
SMILESFCC(CF)=C(F)F
InChIInChI=1S/C4H4F4/c5-1-3(2-6)4(7)8/h1-2H2
InChIKeyJZUMINNBEZXYCQ-UHFFFAOYSA-N
MW128.07 g/mol
LogP2.08
Rot. Bonds2

About 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene

1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene (PubChem CID 19788900) has the molecular formula C4H4F4 and a molecular weight of 128.07 g/mol. Its IUPAC name is 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene
PubChem CID19788900
Molecular FormulaC4H4F4
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene
SMILESFCC(CF)=C(F)F
InChIInChI=1S/C4H4F4/c5-1-3(2-6)4(7)8/h1-2H2
InChIKeyJZUMINNBEZXYCQ-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene?
The IUPAC name of 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene (CID 19788900) is 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene.
What is the SMILES notation for 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene?
The canonical SMILES for 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene is FCC(CF)=C(F)F.
What is the InChIKey of 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene?
The InChIKey is JZUMINNBEZXYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4/c5-1-3(2-6)4(7)8/h1-2H2.
What are the key properties of 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene?
1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene has a molecular weight of 128.07 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-2-(fluoromethyl)prop-1-ene is sourced from PubChem (CID 19788900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).