[(Z)-4-ethylhept-2-en-3-yl] hypofluorite

C9H17FO — CID 168879608

IUPAC[(Z)-4-ethylhept-2-en-3-yl] hypofluorite
SMILESC/C=C(\OF)C(CC)CCC
InChIInChI=1S/C9H17FO/c1-4-7-8(5-2)9(6-3)11-10/h6,8H,4-5,7H2,1-3H3/b9-6-
InChIKeyIZLGCMFRQLTROQ-TWGQIWQCSA-N
MW160.23 g/mol
LogP3.62
Rot. Bonds5

About [(Z)-4-ethylhept-2-en-3-yl] hypofluorite

[(Z)-4-ethylhept-2-en-3-yl] hypofluorite (PubChem CID 168879608) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is [(Z)-4-ethylhept-2-en-3-yl] hypofluorite.

Molecular Properties

Compound Name[(Z)-4-ethylhept-2-en-3-yl] hypofluorite
PubChem CID168879608
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name[(Z)-4-ethylhept-2-en-3-yl] hypofluorite
SMILESC/C=C(\OF)C(CC)CCC
InChIInChI=1S/C9H17FO/c1-4-7-8(5-2)9(6-3)11-10/h6,8H,4-5,7H2,1-3H3/b9-6-
InChIKeyIZLGCMFRQLTROQ-TWGQIWQCSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethyl-3-hydroxy-hept-2-ene
CID 41676
4,5-Dimethyl-2-hepten-3-ol
CID 5366237
[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite
CID 170264185
lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate
CID 23666726
lithium (3R)-3-[(E)-oct-1-enyl]cyclopenten-1-olate
CID 134894558
lithium (5R)-5-methylcyclohexen-1-olate
CID 134975809
Lithium 6-ethylcyclohexen-1-olate
CID 134976010
lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate
CID 135082012
(E)-4,5-dimethylhept-2-en-3-ol
CID 177843031
(Z)-3-methoxy-6-methylhept-2-ene
CID 144520603
5-Ethyl-1-methoxycyclohexene
CID 20600624
4-Ethyl-1-methoxycyclohexene
CID 23329926

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethylhept-2-en-3-yl] hypofluorite?
The IUPAC name of [(Z)-4-ethylhept-2-en-3-yl] hypofluorite (CID 168879608) is [(Z)-4-ethylhept-2-en-3-yl] hypofluorite.
What is the SMILES notation for [(Z)-4-ethylhept-2-en-3-yl] hypofluorite?
The canonical SMILES for [(Z)-4-ethylhept-2-en-3-yl] hypofluorite is C/C=C(\OF)C(CC)CCC.
What is the InChIKey of [(Z)-4-ethylhept-2-en-3-yl] hypofluorite?
The InChIKey is IZLGCMFRQLTROQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17FO/c1-4-7-8(5-2)9(6-3)11-10/h6,8H,4-5,7H2,1-3H3/b9-6-.
What are the key properties of [(Z)-4-ethylhept-2-en-3-yl] hypofluorite?
[(Z)-4-ethylhept-2-en-3-yl] hypofluorite has a molecular weight of 160.23 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethylhept-2-en-3-yl] hypofluorite is sourced from PubChem (CID 168879608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).