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

C10H14F2O3 — CID 43651924

IUPAC2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
SMILESCC1CC=CCC1COC(F)(F)C(=O)O
InChIInChI=1S/C10H14F2O3/c1-7-4-2-3-5-8(7)6-15-10(11,12)9(13)14/h2-3,7-8H,4-6H2,1H3,(H,13,14)
InChIKeySJOYTRZFDWQIGM-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.28
Rot. Bonds4

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

2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid (PubChem CID 43651924) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
PubChem CID43651924
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
SMILESCC1CC=CCC1COC(F)(F)C(=O)O
InChIInChI=1S/C10H14F2O3/c1-7-4-2-3-5-8(7)6-15-10(11,12)9(13)14/h2-3,7-8H,4-6H2,1H3,(H,13,14)
InChIKeySJOYTRZFDWQIGM-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.28
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 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid (CID 43651924) is 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid is CC1CC=CCC1COC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The InChIKey is SJOYTRZFDWQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c1-7-4-2-3-5-8(7)6-15-10(11,12)9(13)14/h2-3,7-8H,4-6H2,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid has a molecular weight of 220.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid is sourced from PubChem (CID 43651924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).