5-(fluoromethoxy)hex-2-ene

C7H13FO — CID 123942986

IUPAC5-(fluoromethoxy)hex-2-ene
SMILESCC=CCC(C)OCF
InChIInChI=1S/C7H13FO/c1-3-4-5-7(2)9-6-8/h3-4,7H,5-6H2,1-2H3
InChIKeyHLKVDRZCTBRKIV-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.28
Rot. Bonds4

About 5-(fluoromethoxy)hex-2-ene

5-(fluoromethoxy)hex-2-ene (PubChem CID 123942986) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-(fluoromethoxy)hex-2-ene.

Molecular Properties

Compound Name5-(fluoromethoxy)hex-2-ene
PubChem CID123942986
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name5-(fluoromethoxy)hex-2-ene
SMILESCC=CCC(C)OCF
InChIInChI=1S/C7H13FO/c1-3-4-5-7(2)9-6-8/h3-4,7H,5-6H2,1-2H3
InChIKeyHLKVDRZCTBRKIV-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
2-(hex-4-en-2-yloxymethyl)oxirane
CID 89335517
[(E)-hex-4-en-2-yl] formate
CID 14644553
ethane;(E)-5-methylhex-2-ene
CID 143114143
5-bromohex-2-ene
CID 53438987
1-fluoro-1-(fluoromethoxy)ethane
CID 18924253
ethane;5-methylhex-2-ene;propane
CID 143336274
(E)-5-methylhept-2-ene
CID 5364849
(E)-2-methylhept-5-en-3-ol
CID 12592438
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419
1-(1-chloroethoxy)but-2-ene
CID 91247545
5-ethyl-6-methylhept-2-ene
CID 54081587

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)hex-2-ene?
The IUPAC name of 5-(fluoromethoxy)hex-2-ene (CID 123942986) is 5-(fluoromethoxy)hex-2-ene.
What is the SMILES notation for 5-(fluoromethoxy)hex-2-ene?
The canonical SMILES for 5-(fluoromethoxy)hex-2-ene is CC=CCC(C)OCF.
What is the InChIKey of 5-(fluoromethoxy)hex-2-ene?
The InChIKey is HLKVDRZCTBRKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-3-4-5-7(2)9-6-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-(fluoromethoxy)hex-2-ene?
5-(fluoromethoxy)hex-2-ene has a molecular weight of 132.18 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)hex-2-ene is sourced from PubChem (CID 123942986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).