2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid

C10H15FO3 — CID 79356468

IUPAC2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
SMILESCC1CC=CCC1COC(F)C(=O)O
InChIInChI=1S/C10H15FO3/c1-7-4-2-3-5-8(7)6-14-9(11)10(12)13/h2-3,7-9H,4-6H2,1H3,(H,12,13)
InChIKeyZWNDULOGQSPQDH-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.99
Rot. Bonds4

About 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid

2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid (PubChem CID 79356468) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
PubChem CID79356468
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
SMILESCC1CC=CCC1COC(F)C(=O)O
InChIInChI=1S/C10H15FO3/c1-7-4-2-3-5-8(7)6-14-9(11)10(12)13/h2-3,7-9H,4-6H2,1H3,(H,12,13)
InChIKeyZWNDULOGQSPQDH-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The IUPAC name of 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid (CID 79356468) is 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid.
What is the SMILES notation for 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The canonical SMILES for 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid is CC1CC=CCC1COC(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The InChIKey is ZWNDULOGQSPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c1-7-4-2-3-5-8(7)6-14-9(11)10(12)13/h2-3,7-9H,4-6H2,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid has a molecular weight of 202.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid is sourced from PubChem (CID 79356468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).