(E)-1-chloro-2-fluoro-3-methylbut-1-ene

C5H8ClF — CID 59911304

IUPAC(E)-1-chloro-2-fluoro-3-methylbut-1-ene
SMILESCC(C)/C(F)=C\Cl
InChIInChI=1S/C5H8ClF/c1-4(2)5(7)3-6/h3-4H,1-2H3/b5-3+
InChIKeyAMIGKLBLFJIOAP-HWKANZROSA-N
MW122.57 g/mol
LogP2.69
Rot. Bonds1

About (E)-1-chloro-2-fluoro-3-methylbut-1-ene

(E)-1-chloro-2-fluoro-3-methylbut-1-ene (PubChem CID 59911304) has the molecular formula C5H8ClF and a molecular weight of 122.57 g/mol. Its IUPAC name is (E)-1-chloro-2-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-fluoro-3-methylbut-1-ene
PubChem CID59911304
Molecular FormulaC5H8ClF
Molecular Weight122.57 g/mol
Exact Mass122.03
IUPAC Name(E)-1-chloro-2-fluoro-3-methylbut-1-ene
SMILESCC(C)/C(F)=C\Cl
InChIInChI=1S/C5H8ClF/c1-4(2)5(7)3-6/h3-4H,1-2H3/b5-3+
InChIKeyAMIGKLBLFJIOAP-HWKANZROSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-chloro-1,1-difluoroethene;tetrachloromethane
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(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
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(Z)-1,2-dichloro-4-methylpent-1-en-3-one
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2-[(E)-1,2-dichloroethenyl]sulfanylpropane
CID 134875930
2-chloro-1,1-difluoro-3-methylbut-1-ene
CID 23384792
(Z)-3-fluoropent-3-en-2-ol
CID 152906819
(E)-1-chloro-1-fluoro-3-methylbut-1-ene
CID 23384730
1-(2-fluoro-3-methylbut-1-enyl)-2-methylbenzene
CID 123708062
3-ethoxy-1,2-difluorobut-1-ene
CID 74037990
propyl 2-(chloromethylidene)-3-methylbutanoate
CID 173321459
erbium;propan-2-ol
CID 160843836

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-2-fluoro-3-methylbut-1-ene?
The IUPAC name of (E)-1-chloro-2-fluoro-3-methylbut-1-ene (CID 59911304) is (E)-1-chloro-2-fluoro-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-chloro-2-fluoro-3-methylbut-1-ene?
The canonical SMILES for (E)-1-chloro-2-fluoro-3-methylbut-1-ene is CC(C)/C(F)=C\Cl.
What is the InChIKey of (E)-1-chloro-2-fluoro-3-methylbut-1-ene?
The InChIKey is AMIGKLBLFJIOAP-HWKANZROSA-N. The full InChI is InChI=1S/C5H8ClF/c1-4(2)5(7)3-6/h3-4H,1-2H3/b5-3+.
What are the key properties of (E)-1-chloro-2-fluoro-3-methylbut-1-ene?
(E)-1-chloro-2-fluoro-3-methylbut-1-ene has a molecular weight of 122.57 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 59911304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).