(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene

C5H5ClF4 — CID 21459272

IUPAC(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene
SMILESFCC/C(=C/Cl)C(F)(F)F
InChIInChI=1S/C5H5ClF4/c6-3-4(1-2-7)5(8,9)10/h3H,1-2H2/b4-3-
InChIKeyQPNVYCXFOUZJEZ-ARJAWSKDSA-N
MW176.54 g/mol
LogP3.03
Rot. Bonds2

About (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene

(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene (PubChem CID 21459272) has the molecular formula C5H5ClF4 and a molecular weight of 176.54 g/mol. Its IUPAC name is (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene
PubChem CID21459272
Molecular FormulaC5H5ClF4
Molecular Weight176.54 g/mol
Exact Mass176.00
IUPAC Name(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene
SMILESFCC/C(=C/Cl)C(F)(F)F
InChIInChI=1S/C5H5ClF4/c6-3-4(1-2-7)5(8,9)10/h3H,1-2H2/b4-3-
InChIKeyQPNVYCXFOUZJEZ-ARJAWSKDSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene?
The IUPAC name of (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene (CID 21459272) is (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene is FCC/C(=C/Cl)C(F)(F)F.
What is the InChIKey of (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene?
The InChIKey is QPNVYCXFOUZJEZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H5ClF4/c6-3-4(1-2-7)5(8,9)10/h3H,1-2H2/b4-3-.
What are the key properties of (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene?
(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene has a molecular weight of 176.54 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 21459272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).