(6S)-6-fluoro-7-methoxyhept-1-ene

C8H15FO — CID 56628679

IUPAC(6S)-6-fluoro-7-methoxyhept-1-ene
SMILESC=CCCC[C@H](F)COC
InChIInChI=1S/C8H15FO/c1-3-4-5-6-8(9)7-10-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyUJMMIYDIXFPCLV-QMMMGPOBSA-N
MW146.20 g/mol
LogP2.33
Rot. Bonds6

About (6S)-6-fluoro-7-methoxyhept-1-ene

(6S)-6-fluoro-7-methoxyhept-1-ene (PubChem CID 56628679) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is (6S)-6-fluoro-7-methoxyhept-1-ene.

Molecular Properties

Compound Name(6S)-6-fluoro-7-methoxyhept-1-ene
PubChem CID56628679
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name(6S)-6-fluoro-7-methoxyhept-1-ene
SMILESC=CCCC[C@H](F)COC
InChIInChI=1S/C8H15FO/c1-3-4-5-6-8(9)7-10-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyUJMMIYDIXFPCLV-QMMMGPOBSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3022579
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1-methoxynon-8-en-2-ylhydrazine
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2-(methoxymethyl)non-8-enoic acid
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1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
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1-methoxydec-9-ene-3,6-diol
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1-methoxy-N-propylnon-8-en-4-amine
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1-(2-methoxyethoxy)oct-7-en-3-ylhydrazine
CID 102929851
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(2S)-2-fluoro-1-methoxybutane
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6-(methoxymethoxy)hex-1-ene
CID 14631669

Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-7-methoxyhept-1-ene?
The IUPAC name of (6S)-6-fluoro-7-methoxyhept-1-ene (CID 56628679) is (6S)-6-fluoro-7-methoxyhept-1-ene.
What is the SMILES notation for (6S)-6-fluoro-7-methoxyhept-1-ene?
The canonical SMILES for (6S)-6-fluoro-7-methoxyhept-1-ene is C=CCCC[C@H](F)COC.
What is the InChIKey of (6S)-6-fluoro-7-methoxyhept-1-ene?
The InChIKey is UJMMIYDIXFPCLV-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15FO/c1-3-4-5-6-8(9)7-10-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (6S)-6-fluoro-7-methoxyhept-1-ene?
(6S)-6-fluoro-7-methoxyhept-1-ene has a molecular weight of 146.20 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-7-methoxyhept-1-ene is sourced from PubChem (CID 56628679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).