2-chloro-1,1,1,3-tetrafluorobut-2-ene

C4H3ClF4 — CID 53395469

IUPAC2-chloro-1,1,1,3-tetrafluorobut-2-ene
SMILESCC(F)=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3
InChIKeyRDZGKBDJFRDSAK-UHFFFAOYSA-N
MW162.51 g/mol
LogP2.99
Rot. Bonds

About 2-chloro-1,1,1,3-tetrafluorobut-2-ene

2-chloro-1,1,1,3-tetrafluorobut-2-ene (PubChem CID 53395469) has the molecular formula C4H3ClF4 and a molecular weight of 162.51 g/mol. Its IUPAC name is 2-chloro-1,1,1,3-tetrafluorobut-2-ene.

Molecular Properties

Compound Name2-chloro-1,1,1,3-tetrafluorobut-2-ene
PubChem CID53395469
Molecular FormulaC4H3ClF4
Molecular Weight162.51 g/mol
Exact Mass161.99
IUPAC Name2-chloro-1,1,1,3-tetrafluorobut-2-ene
SMILESCC(F)=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3
InChIKeyRDZGKBDJFRDSAK-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1,1,1,4,4,4-hexafluoro-3-methylbut-2-ene
CID 54404370
CID 14849495
CID 14849495
2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene
CID 88615008
(E)-3-chloro-4,4,4-trifluoro-2-methylbut-2-enenitrile
CID 59957241
2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene
CID 139906496
2-(1-chloro-2,2,2-trifluoroethylidene)propanedinitrile
CID 12591685
4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
CID 174983751
(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene
CID 23418458
(E)-2,3-difluorobut-2-ene
CID 59928419
1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
CID 173395165
cis-(1S,3R)-3-(3-chloro-4,4,4-trifluorobut-2-en-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 173301973
(Z)-2-chloro-1-fluoroprop-1-en-1-ol
CID 173270736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
The IUPAC name of 2-chloro-1,1,1,3-tetrafluorobut-2-ene (CID 53395469) is 2-chloro-1,1,1,3-tetrafluorobut-2-ene.
What is the SMILES notation for 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
The canonical SMILES for 2-chloro-1,1,1,3-tetrafluorobut-2-ene is CC(F)=C(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
The InChIKey is RDZGKBDJFRDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3.
What are the key properties of 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
2-chloro-1,1,1,3-tetrafluorobut-2-ene has a molecular weight of 162.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,3-tetrafluorobut-2-ene is sourced from PubChem (CID 53395469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).