3,4-dichloro-3,4-difluoro-2-methylbut-1-ene

C5H6Cl2F2 — CID 119096846

IUPAC3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
SMILESC=C(C)C(F)(Cl)C(F)Cl
InChIInChI=1S/C5H6Cl2F2/c1-3(2)5(7,9)4(6)8/h4H,1H2,2H3
InChIKeyKRBFLIQIGJAWNE-UHFFFAOYSA-N
MW175.00 g/mol
LogP3.00
Rot. Bonds2

About 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene

3,4-dichloro-3,4-difluoro-2-methylbut-1-ene (PubChem CID 119096846) has the molecular formula C5H6Cl2F2 and a molecular weight of 175.00 g/mol. Its IUPAC name is 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
PubChem CID119096846
Molecular FormulaC5H6Cl2F2
Molecular Weight175.00 g/mol
Exact Mass173.98
IUPAC Name3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
SMILESC=C(C)C(F)(Cl)C(F)Cl
InChIInChI=1S/C5H6Cl2F2/c1-3(2)5(7,9)4(6)8/h4H,1H2,2H3
InChIKeyKRBFLIQIGJAWNE-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.00
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
CID 162149218
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1,2-dichloro-1,2-difluoro-3-methylbutane
CID 56617093
1-chloro-2-methylprop-2-ene-1,1-diamine
CID 123338882
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
1-chloro-1,1-difluoro-3-methylbut-3-en-2-one
CID 112575087

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene?
The IUPAC name of 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene (CID 119096846) is 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene.
What is the SMILES notation for 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene?
The canonical SMILES for 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene is C=C(C)C(F)(Cl)C(F)Cl.
What is the InChIKey of 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene?
The InChIKey is KRBFLIQIGJAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2F2/c1-3(2)5(7,9)4(6)8/h4H,1H2,2H3.
What are the key properties of 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene?
3,4-dichloro-3,4-difluoro-2-methylbut-1-ene has a molecular weight of 175.00 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-3,4-difluoro-2-methylbut-1-ene is sourced from PubChem (CID 119096846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).