1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol

C10H17FO — CID 122496239

IUPAC1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol
SMILESCC1=C(F)CCC(C)C1C(C)O
InChIInChI=1S/C10H17FO/c1-6-4-5-9(11)7(2)10(6)8(3)12/h6,8,10,12H,4-5H2,1-3H3
InChIKeyJWHOKXIAKAMCTK-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.66
Rot. Bonds1

About 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol

1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol (PubChem CID 122496239) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol
PubChem CID122496239
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol
SMILESCC1=C(F)CCC(C)C1C(C)O
InChIInChI=1S/C10H17FO/c1-6-4-5-9(11)7(2)10(6)8(3)12/h6,8,10,12H,4-5H2,1-3H3
InChIKeyJWHOKXIAKAMCTK-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol?
The IUPAC name of 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol (CID 122496239) is 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol is CC1=C(F)CCC(C)C1C(C)O.
What is the InChIKey of 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol?
The InChIKey is JWHOKXIAKAMCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-6-4-5-9(11)7(2)10(6)8(3)12/h6,8,10,12H,4-5H2,1-3H3.
What are the key properties of 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol?
1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol has a molecular weight of 172.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol is sourced from PubChem (CID 122496239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).