1-fluoro-3-methylcyclohexane

C7H13F — CID 54367386

IUPAC1-fluoro-3-methylcyclohexane
SMILESCC1CCCC(F)C1
InChIInChI=1S/C7H13F/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKeyBJYNDVCWPFJPDJ-UHFFFAOYSA-N
MW116.18 g/mol
LogP2.53
Rot. Bonds

About 1-fluoro-3-methylcyclohexane

1-fluoro-3-methylcyclohexane (PubChem CID 54367386) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is 1-fluoro-3-methylcyclohexane.

Molecular Properties

Compound Name1-fluoro-3-methylcyclohexane
PubChem CID54367386
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name1-fluoro-3-methylcyclohexane
SMILESCC1CCCC(F)C1
InChIInChI=1S/C7H13F/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKeyBJYNDVCWPFJPDJ-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylcyclohexane?
The IUPAC name of 1-fluoro-3-methylcyclohexane (CID 54367386) is 1-fluoro-3-methylcyclohexane.
What is the SMILES notation for 1-fluoro-3-methylcyclohexane?
The canonical SMILES for 1-fluoro-3-methylcyclohexane is CC1CCCC(F)C1.
What is the InChIKey of 1-fluoro-3-methylcyclohexane?
The InChIKey is BJYNDVCWPFJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3.
What are the key properties of 1-fluoro-3-methylcyclohexane?
1-fluoro-3-methylcyclohexane has a molecular weight of 116.18 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylcyclohexane is sourced from PubChem (CID 54367386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).