6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane

C11H19F — CID 155237277

IUPAC6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane
SMILESCCCC1CCCC2(F)CC12C
InChIInChI=1S/C11H19F/c1-3-5-9-6-4-7-11(12)8-10(9,11)2/h9H,3-8H2,1-2H3
InChIKeyJOHAMZVNHAVWCX-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.70
Rot. Bonds2

About 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane

6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane (PubChem CID 155237277) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane
PubChem CID155237277
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane
SMILESCCCC1CCCC2(F)CC12C
InChIInChI=1S/C11H19F/c1-3-5-9-6-4-7-11(12)8-10(9,11)2/h9H,3-8H2,1-2H3
InChIKeyJOHAMZVNHAVWCX-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1-Methylbicyclo(4.1.0)heptane
CID 137602
7,7-Difluoro-1-methylbicyclo[4.1.0]heptane
CID 14493670
cis-Carane
CID 12302437
trans-(2S,4S)-4-fluoro-1,1,2-trimethylcyclohexane
CID 68080467
cis-(2S,4R)-4-fluoro-1,1,2-trimethylcyclohexane
CID 69916148
4-Methylspiro[2.5]octane
CID 15329636
Bicyclo[4.1.0]heptane, 2-methyl-
CID 549097
1-(Trifluoromethyl)bicyclo[4.1.0]heptane
CID 122381426
7,7-Dimethylbicyclo(4.1.0)heptane
CID 11815353
Bicyclo[4.1.0]heptane, 1-(1-methylethyl)-
CID 12159649

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane?
The IUPAC name of 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane (CID 155237277) is 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane.
What is the SMILES notation for 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane?
The canonical SMILES for 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane is CCCC1CCCC2(F)CC12C.
What is the InChIKey of 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane?
The InChIKey is JOHAMZVNHAVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-3-5-9-6-4-7-11(12)8-10(9,11)2/h9H,3-8H2,1-2H3.
What are the key properties of 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane?
6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane has a molecular weight of 170.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2-propylbicyclo[4.1.0]heptane is sourced from PubChem (CID 155237277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).