2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol

C10H17FO2 — CID 69036973

IUPAC2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol
SMILESCOC1=CCC(C(C)(C)O)C(F)C1
InChIInChI=1S/C10H17FO2/c1-10(2,12)8-5-4-7(13-3)6-9(8)11/h4,8-9,12H,5-6H2,1-3H3
InChIKeyDAHMRPLQEPRULU-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.04
Rot. Bonds2

About 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol

2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol (PubChem CID 69036973) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol
PubChem CID69036973
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol
SMILESCOC1=CCC(C(C)(C)O)C(F)C1
InChIInChI=1S/C10H17FO2/c1-10(2,12)8-5-4-7(13-3)6-9(8)11/h4,8-9,12H,5-6H2,1-3H3
InChIKeyDAHMRPLQEPRULU-UHFFFAOYSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol (CID 69036973) is 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol is COC1=CCC(C(C)(C)O)C(F)C1.
What is the InChIKey of 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is DAHMRPLQEPRULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-10(2,12)8-5-4-7(13-3)6-9(8)11/h4,8-9,12H,5-6H2,1-3H3.
What are the key properties of 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol?
2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 188.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-methoxycyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 69036973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).