1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene

C6H4Cl2F6 — CID 158927719

IUPAC1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)/C=C/Cl.FC(F)(F)C=CCl
InChIInChI=1S/2C3H2ClF3/c2*4-2-1-3(5,6)7/h2*1-2H/b2-1+;
InChIKeyJIQOONSWHNWEIH-TYYBGVCCSA-N
MW260.99 g/mol
LogP4.60
Rot. Bonds

About 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene

1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene (PubChem CID 158927719) has the molecular formula C6H4Cl2F6 and a molecular weight of 260.99 g/mol. Its IUPAC name is 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene
PubChem CID158927719
Molecular FormulaC6H4Cl2F6
Molecular Weight260.99 g/mol
Exact Mass259.96
IUPAC Name1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)/C=C/Cl.FC(F)(F)C=CCl
InChIInChI=1S/2C3H2ClF3/c2*4-2-1-3(5,6)7/h2*1-2H/b2-1+;
InChIKeyJIQOONSWHNWEIH-TYYBGVCCSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.99
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
CID 168864635
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
3,3,3-trifluoroprop-1-ene-1-thiol
CID 154141998
3,3,3-trifluoroprop-1-ene
CID 90915807
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene
CID 87597196
(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 45075677
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
CID 170161980
(Z)-1-chloro-2-fluoroethene
CID 5463030

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene (CID 158927719) is 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene is FC(F)(F)/C=C/Cl.FC(F)(F)C=CCl.
What is the InChIKey of 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is JIQOONSWHNWEIH-TYYBGVCCSA-N. The full InChI is InChI=1S/2C3H2ClF3/c2*4-2-1-3(5,6)7/h2*1-2H/b2-1+;.
What are the key properties of 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene?
1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 260.99 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 158927719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).