2-fluoro-1,1-dimethylcyclohexane

C8H15F — CID 22156461

IUPAC2-fluoro-1,1-dimethylcyclohexane
SMILESCC1(C)CCCCC1F
InChIInChI=1S/C8H15F/c1-8(2)6-4-3-5-7(8)9/h7H,3-6H2,1-2H3
InChIKeyQMUGVYBXPPNNSD-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.92
Rot. Bonds

About 2-fluoro-1,1-dimethylcyclohexane

2-fluoro-1,1-dimethylcyclohexane (PubChem CID 22156461) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-fluoro-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name2-fluoro-1,1-dimethylcyclohexane
PubChem CID22156461
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name2-fluoro-1,1-dimethylcyclohexane
SMILESCC1(C)CCCCC1F
InChIInChI=1S/C8H15F/c1-8(2)6-4-3-5-7(8)9/h7H,3-6H2,1-2H3
InChIKeyQMUGVYBXPPNNSD-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,1-dimethylcyclohexane?
The IUPAC name of 2-fluoro-1,1-dimethylcyclohexane (CID 22156461) is 2-fluoro-1,1-dimethylcyclohexane.
What is the SMILES notation for 2-fluoro-1,1-dimethylcyclohexane?
The canonical SMILES for 2-fluoro-1,1-dimethylcyclohexane is CC1(C)CCCCC1F.
What is the InChIKey of 2-fluoro-1,1-dimethylcyclohexane?
The InChIKey is QMUGVYBXPPNNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-8(2)6-4-3-5-7(8)9/h7H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1,1-dimethylcyclohexane?
2-fluoro-1,1-dimethylcyclohexane has a molecular weight of 130.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,1-dimethylcyclohexane is sourced from PubChem (CID 22156461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).