1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium

C8H11FV — CID 178170510

IUPAC1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
SMILESCCC1=C(F)C=CCC1.[V]
InChIInChI=1S/C8H11F.V/c1-2-7-5-3-4-6-8(7)9;/h4,6H,2-3,5H2,1H3;
InChIKeyZAWMHKSCDHABPX-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.97
Rot. Bonds1

About 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium

1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium (PubChem CID 178170510) has the molecular formula C8H11FV and a molecular weight of 177.12 g/mol. Its IUPAC name is 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium.

Molecular Properties

Compound Name1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
PubChem CID178170510
Molecular FormulaC8H11FV
Molecular Weight177.12 g/mol
Exact Mass177.03
IUPAC Name1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
SMILESCCC1=C(F)C=CCC1.[V]
InChIInChI=1S/C8H11F.V/c1-2-7-5-3-4-6-8(7)9;/h4,6H,2-3,5H2,1H3;
InChIKeyZAWMHKSCDHABPX-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 178056899
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2-chloro-1-ethylcyclohexa-1,3-diene
CID 66608212
1-fluoro-5-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbenzene
CID 146578624
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
1-ethyl-2,4-difluorocyclohexa-1,3-diene
CID 142010109
4-(2-ethylcyclohexa-1,5-dien-1-yl)but-1-ene-2-thiol
CID 167246313
(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
CID 68911382
3-ethyl-4-fluorocyclohepta-1,3,5-triene
CID 123732021
1-fluoro-2-propan-2-ylcyclohexa-1,3-diene
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8-ethyl-1,2-dihydronaphthalene
CID 13330233

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium?
The IUPAC name of 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium (CID 178170510) is 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium.
What is the SMILES notation for 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium?
The canonical SMILES for 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium is CCC1=C(F)C=CCC1.[V].
What is the InChIKey of 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium?
The InChIKey is ZAWMHKSCDHABPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F.V/c1-2-7-5-3-4-6-8(7)9;/h4,6H,2-3,5H2,1H3;.
What are the key properties of 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium?
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium has a molecular weight of 177.12 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium is sourced from PubChem (CID 178170510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).