1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile

C10H10FN — CID 143463785

IUPAC1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile
SMILESCCC12C=C(C#N)C=CC1(F)C2
InChIInChI=1S/C10H10FN/c1-2-9-5-8(6-12)3-4-10(9,11)7-9/h3-5H,2,7H2,1H3
InChIKeyRNRLXSAABSROGD-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.51
Rot. Bonds1

About 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile

1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile (PubChem CID 143463785) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile
PubChem CID143463785
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile
SMILESCCC12C=C(C#N)C=CC1(F)C2
InChIInChI=1S/C10H10FN/c1-2-9-5-8(6-12)3-4-10(9,11)7-9/h3-5H,2,7H2,1H3
InChIKeyRNRLXSAABSROGD-UHFFFAOYSA-N
XLogP2.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile?
The IUPAC name of 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile (CID 143463785) is 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile is CCC12C=C(C#N)C=CC1(F)C2.
What is the InChIKey of 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile?
The InChIKey is RNRLXSAABSROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-2-9-5-8(6-12)3-4-10(9,11)7-9/h3-5H,2,7H2,1H3.
What are the key properties of 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile?
1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile has a molecular weight of 163.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carbonitrile is sourced from PubChem (CID 143463785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).