2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane

C10H17F — CID 57297730

IUPAC2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane
SMILESCC1CCC2C(C1F)C2(C)C
InChIInChI=1S/C10H17F/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9H,4-5H2,1-3H3
InChIKeyZJYFGFXCDHDSQH-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.03
Rot. Bonds

About 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane

2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane (PubChem CID 57297730) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane
PubChem CID57297730
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane
SMILESCC1CCC2C(C1F)C2(C)C
InChIInChI=1S/C10H17F/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9H,4-5H2,1-3H3
InChIKeyZJYFGFXCDHDSQH-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane?
The IUPAC name of 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane (CID 57297730) is 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane.
What is the SMILES notation for 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane?
The canonical SMILES for 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane is CC1CCC2C(C1F)C2(C)C.
What is the InChIKey of 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane?
The InChIKey is ZJYFGFXCDHDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane?
2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane has a molecular weight of 156.24 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,7,7-trimethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 57297730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).