ethanol;1-fluoro-2,3-dimethylidenecyclohexane

C10H17FO — CID 143414186

IUPACethanol;1-fluoro-2,3-dimethylidenecyclohexane
SMILESC=C1CCCC(F)C1=C.CCO
InChIInChI=1S/C8H11F.C2H6O/c1-6-4-3-5-8(9)7(6)2;1-2-3/h8H,1-5H2;3H,2H2,1H3
InChIKeyBAMPBSLQIQDWJW-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.62
Rot. Bonds

About ethanol;1-fluoro-2,3-dimethylidenecyclohexane

ethanol;1-fluoro-2,3-dimethylidenecyclohexane (PubChem CID 143414186) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is ethanol;1-fluoro-2,3-dimethylidenecyclohexane.

Molecular Properties

Compound Nameethanol;1-fluoro-2,3-dimethylidenecyclohexane
PubChem CID143414186
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Nameethanol;1-fluoro-2,3-dimethylidenecyclohexane
SMILESC=C1CCCC(F)C1=C.CCO
InChIInChI=1S/C8H11F.C2H6O/c1-6-4-3-5-8(9)7(6)2;1-2-3/h8H,1-5H2;3H,2H2,1H3
InChIKeyBAMPBSLQIQDWJW-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;1-fluoro-2,3-dimethylidenecyclohexane?
The IUPAC name of ethanol;1-fluoro-2,3-dimethylidenecyclohexane (CID 143414186) is ethanol;1-fluoro-2,3-dimethylidenecyclohexane.
What is the SMILES notation for ethanol;1-fluoro-2,3-dimethylidenecyclohexane?
The canonical SMILES for ethanol;1-fluoro-2,3-dimethylidenecyclohexane is C=C1CCCC(F)C1=C.CCO.
What is the InChIKey of ethanol;1-fluoro-2,3-dimethylidenecyclohexane?
The InChIKey is BAMPBSLQIQDWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F.C2H6O/c1-6-4-3-5-8(9)7(6)2;1-2-3/h8H,1-5H2;3H,2H2,1H3.
What are the key properties of ethanol;1-fluoro-2,3-dimethylidenecyclohexane?
ethanol;1-fluoro-2,3-dimethylidenecyclohexane has a molecular weight of 172.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-fluoro-2,3-dimethylidenecyclohexane is sourced from PubChem (CID 143414186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).