4-tert-butyl-1-fluoro-1-methylcyclohexane

C11H21F — CID 13144928

IUPAC4-tert-butyl-1-fluoro-1-methylcyclohexane
SMILESCC1(F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21F/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8H2,1-4H3
InChIKeyBONJNPMPIJANIE-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.95
Rot. Bonds

About 4-tert-butyl-1-fluoro-1-methylcyclohexane

4-tert-butyl-1-fluoro-1-methylcyclohexane (PubChem CID 13144928) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 4-tert-butyl-1-fluoro-1-methylcyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1-fluoro-1-methylcyclohexane
PubChem CID13144928
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name4-tert-butyl-1-fluoro-1-methylcyclohexane
SMILESCC1(F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21F/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8H2,1-4H3
InChIKeyBONJNPMPIJANIE-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-fluoro-1-methylcyclohexane?
The IUPAC name of 4-tert-butyl-1-fluoro-1-methylcyclohexane (CID 13144928) is 4-tert-butyl-1-fluoro-1-methylcyclohexane.
What is the SMILES notation for 4-tert-butyl-1-fluoro-1-methylcyclohexane?
The canonical SMILES for 4-tert-butyl-1-fluoro-1-methylcyclohexane is CC1(F)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-fluoro-1-methylcyclohexane?
The InChIKey is BONJNPMPIJANIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-fluoro-1-methylcyclohexane?
4-tert-butyl-1-fluoro-1-methylcyclohexane has a molecular weight of 172.29 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-fluoro-1-methylcyclohexane is sourced from PubChem (CID 13144928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).