(Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene

C6H8F4 — CID 23384740

IUPAC(Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene
SMILESCC(C)/C(=C/F)C(F)(F)F
InChIInChI=1S/C6H8F4/c1-4(2)5(3-7)6(8,9)10/h3-4H,1-2H3/b5-3-
InChIKeyYCPADICAFZVYHL-HYXAFXHYSA-N
MW156.12 g/mol
LogP3.06
Rot. Bonds1

About (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene

(Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene (PubChem CID 23384740) has the molecular formula C6H8F4 and a molecular weight of 156.12 g/mol. Its IUPAC name is (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name(Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene
PubChem CID23384740
Molecular FormulaC6H8F4
Molecular Weight156.12 g/mol
Exact Mass156.06
IUPAC Name(Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene
SMILESCC(C)/C(=C/F)C(F)(F)F
InChIInChI=1S/C6H8F4/c1-4(2)5(3-7)6(8,9)10/h3-4H,1-2H3/b5-3-
InChIKeyYCPADICAFZVYHL-HYXAFXHYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene?
The IUPAC name of (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene (CID 23384740) is (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene is CC(C)/C(=C/F)C(F)(F)F.
What is the InChIKey of (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene?
The InChIKey is YCPADICAFZVYHL-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8F4/c1-4(2)5(3-7)6(8,9)10/h3-4H,1-2H3/b5-3-.
What are the key properties of (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene?
(Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene has a molecular weight of 156.12 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-3-methyl-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 23384740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).