ethane;fluoromethylcyclohexane

C9H19F — CID 143258726

IUPACethane;fluoromethylcyclohexane
SMILESCC.FCC1CCCCC1
InChIInChI=1S/C7H13F.C2H6/c8-6-7-4-2-1-3-5-7;1-2/h7H,1-6H2;1-2H3
InChIKeyURYPIKWONGJEJU-UHFFFAOYSA-N
MW146.25 g/mol
LogP3.56
Rot. Bonds1

About ethane;fluoromethylcyclohexane

ethane;fluoromethylcyclohexane (PubChem CID 143258726) has the molecular formula C9H19F and a molecular weight of 146.25 g/mol. Its IUPAC name is ethane;fluoromethylcyclohexane.

Molecular Properties

Compound Nameethane;fluoromethylcyclohexane
PubChem CID143258726
Molecular FormulaC9H19F
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Nameethane;fluoromethylcyclohexane
SMILESCC.FCC1CCCCC1
InChIInChI=1S/C7H13F.C2H6/c8-6-7-4-2-1-3-5-7;1-2/h7H,1-6H2;1-2H3
InChIKeyURYPIKWONGJEJU-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(fluoromethyl)-4-methylcyclohexane
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[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798
3-cyclohexylpropan-1-amine;ethane
CID 143945055
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethylcyclohexane?
The IUPAC name of ethane;fluoromethylcyclohexane (CID 143258726) is ethane;fluoromethylcyclohexane.
What is the SMILES notation for ethane;fluoromethylcyclohexane?
The canonical SMILES for ethane;fluoromethylcyclohexane is CC.FCC1CCCCC1.
What is the InChIKey of ethane;fluoromethylcyclohexane?
The InChIKey is URYPIKWONGJEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F.C2H6/c8-6-7-4-2-1-3-5-7;1-2/h7H,1-6H2;1-2H3.
What are the key properties of ethane;fluoromethylcyclohexane?
ethane;fluoromethylcyclohexane has a molecular weight of 146.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethylcyclohexane is sourced from PubChem (CID 143258726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).