1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane

C11H21F — CID 59178156

IUPAC1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CC(C)CC(F)C1
InChIInChI=1S/C11H21F/c1-8(2)4-10-5-9(3)6-11(12)7-10/h8-11H,4-7H2,1-3H3
InChIKeyOZDIBWZNKLCFJB-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.81
Rot. Bonds2

About 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane

1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane (PubChem CID 59178156) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane
PubChem CID59178156
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CC(C)CC(F)C1
InChIInChI=1S/C11H21F/c1-8(2)4-10-5-9(3)6-11(12)7-10/h8-11H,4-7H2,1-3H3
InChIKeyOZDIBWZNKLCFJB-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane?
The IUPAC name of 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane (CID 59178156) is 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane is CC(C)CC1CC(C)CC(F)C1.
What is the InChIKey of 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane?
The InChIKey is OZDIBWZNKLCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-8(2)4-10-5-9(3)6-11(12)7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane?
1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane has a molecular weight of 172.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-5-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 59178156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).