3,3-difluoro-4-methoxycyclooctene

C9H14F2O — CID 123637977

IUPAC3,3-difluoro-4-methoxycyclooctene
SMILESCOC1CCCCC=CC1(F)F
InChIInChI=1S/C9H14F2O/c1-12-8-6-4-2-3-5-7-9(8,10)11/h5,7-8H,2-4,6H2,1H3
InChIKeyIYMAFFCXOMDPEN-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.77
Rot. Bonds1

About 3,3-difluoro-4-methoxycyclooctene

3,3-difluoro-4-methoxycyclooctene (PubChem CID 123637977) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 3,3-difluoro-4-methoxycyclooctene.

Molecular Properties

Compound Name3,3-difluoro-4-methoxycyclooctene
PubChem CID123637977
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3,3-difluoro-4-methoxycyclooctene
SMILESCOC1CCCCC=CC1(F)F
InChIInChI=1S/C9H14F2O/c1-12-8-6-4-2-3-5-7-9(8,10)11/h5,7-8H,2-4,6H2,1H3
InChIKeyIYMAFFCXOMDPEN-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.77
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

2-(9,9,9-Trifluoronon-7-en-1-yl)oxirane
CID 129750535
2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane
CID 162401105
O-cyclooct-3-en-1-yl 2,2-difluoroethanethioate
CID 54400991
(1Z)-3,3-difluoro-4-methoxycyclooctene
CID 130391915
[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate
CID 146370502
2-(12,12,12-Trifluorododec-10-enyl)oxirane
CID 150671006
(E)-1,1,1-trifluoro-12-methoxydodec-3-ene
CID 102340127
6-Methoxyundec-3-ene
CID 54369275
4-Ethoxycyclooct-1-ene
CID 71334110
4-Methoxycyclooctene
CID 153754665
4-Butoxycyclooctene
CID 154297017
(1Z)-5-methoxycyclooctene
CID 102327903

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methoxycyclooctene?
The IUPAC name of 3,3-difluoro-4-methoxycyclooctene (CID 123637977) is 3,3-difluoro-4-methoxycyclooctene.
What is the SMILES notation for 3,3-difluoro-4-methoxycyclooctene?
The canonical SMILES for 3,3-difluoro-4-methoxycyclooctene is COC1CCCCC=CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methoxycyclooctene?
The InChIKey is IYMAFFCXOMDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-12-8-6-4-2-3-5-7-9(8,10)11/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 3,3-difluoro-4-methoxycyclooctene?
3,3-difluoro-4-methoxycyclooctene has a molecular weight of 176.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methoxycyclooctene is sourced from PubChem (CID 123637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).