2-chloro-1,1-difluoro-3-methylbut-1-ene

C5H7ClF2 — CID 23384792

IUPAC2-chloro-1,1-difluoro-3-methylbut-1-ene
SMILESCC(C)C(Cl)=C(F)F
InChIInChI=1S/C5H7ClF2/c1-3(2)4(6)5(7)8/h3H,1-2H3
InChIKeyXZCDFQLLMQWXDS-UHFFFAOYSA-N
MW140.56 g/mol
LogP2.99
Rot. Bonds1

About 2-chloro-1,1-difluoro-3-methylbut-1-ene

2-chloro-1,1-difluoro-3-methylbut-1-ene (PubChem CID 23384792) has the molecular formula C5H7ClF2 and a molecular weight of 140.56 g/mol. Its IUPAC name is 2-chloro-1,1-difluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name2-chloro-1,1-difluoro-3-methylbut-1-ene
PubChem CID23384792
Molecular FormulaC5H7ClF2
Molecular Weight140.56 g/mol
Exact Mass140.02
IUPAC Name2-chloro-1,1-difluoro-3-methylbut-1-ene
SMILESCC(C)C(Cl)=C(F)F
InChIInChI=1S/C5H7ClF2/c1-3(2)4(6)5(7)8/h3H,1-2H3
InChIKeyXZCDFQLLMQWXDS-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-1,2,2-trifluoroethene
CID 141146844
(E)-1-chloro-2-fluoro-3-methylbut-1-ene
CID 59911304
(E)-1-chloro-1-fluoro-3-methylbut-1-ene
CID 23384730
1-chloro-1,2,2-trifluoroethene;1,2-dichloro-1,2-difluoroethene
CID 157281148
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
1-chloro-1,2,2-trifluoroethene;silane
CID 159523303
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178
(Z)-1,2-dichloro-1,2-difluoroethene
CID 2736814
(1-chloro-3-methylbut-1-enyl)-difluoroborane
CID 123860013
(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 175632174
(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
CID 155708974
(Z)-2-chloro-1-fluoroprop-1-en-1-ol
CID 173270736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-difluoro-3-methylbut-1-ene?
The IUPAC name of 2-chloro-1,1-difluoro-3-methylbut-1-ene (CID 23384792) is 2-chloro-1,1-difluoro-3-methylbut-1-ene.
What is the SMILES notation for 2-chloro-1,1-difluoro-3-methylbut-1-ene?
The canonical SMILES for 2-chloro-1,1-difluoro-3-methylbut-1-ene is CC(C)C(Cl)=C(F)F.
What is the InChIKey of 2-chloro-1,1-difluoro-3-methylbut-1-ene?
The InChIKey is XZCDFQLLMQWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2/c1-3(2)4(6)5(7)8/h3H,1-2H3.
What are the key properties of 2-chloro-1,1-difluoro-3-methylbut-1-ene?
2-chloro-1,1-difluoro-3-methylbut-1-ene has a molecular weight of 140.56 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-difluoro-3-methylbut-1-ene is sourced from PubChem (CID 23384792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).