2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene

C8H12F2O — CID 138505671

IUPAC2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene
SMILESC=C(F)C(C)OC(C)C(=C)F
InChIInChI=1S/C8H12F2O/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-2H2,3-4H3
InChIKeyGDRXXRPERKMJDZ-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.75
Rot. Bonds4

About 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene

2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene (PubChem CID 138505671) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene
PubChem CID138505671
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene
SMILESC=C(F)C(C)OC(C)C(=C)F
InChIInChI=1S/C8H12F2O/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-2H2,3-4H3
InChIKeyGDRXXRPERKMJDZ-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129207817
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2,3-difluoro-3-(fluoromethoxy)prop-1-ene
CID 147250568
2-fluoro-4-methylpent-1-en-3-one
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(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
CID 142348700
(1-fluoro-1-oxopropan-2-yl) carbamate
CID 118471736
1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
methyl 2-carbonofluoridoyloxypropanoate
CID 87672150
(3E)-2,4-difluoro-3-propan-2-ylhexa-1,3,5-triene
CID 145074832
(2S,3S,4S)-4-fluoro-2-(1-fluoroethenyl)-3-methylpentane-1,1-diol
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3-methylbut-3-en-2-yloxyphosphane
CID 118861464

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene?
The IUPAC name of 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene (CID 138505671) is 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene.
What is the SMILES notation for 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene?
The canonical SMILES for 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene is C=C(F)C(C)OC(C)C(=C)F.
What is the InChIKey of 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene?
The InChIKey is GDRXXRPERKMJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-2H2,3-4H3.
What are the key properties of 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene?
2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene has a molecular weight of 162.18 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene is sourced from PubChem (CID 138505671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).