8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride

C13H14F2O3 — CID 89242607

IUPAC8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride
SMILESCc1cc2c(c(OCF)c1C(=O)F)OC(C)CC2
InChIInChI=1S/C13H14F2O3/c1-7-5-9-4-3-8(2)18-11(9)12(17-6-14)10(7)13(15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyYPDSHFWEWANEMS-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.12
Rot. Bonds3

About 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride

8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride (PubChem CID 89242607) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride.

Molecular Properties

Compound Name8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride
PubChem CID89242607
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride
SMILESCc1cc2c(c(OCF)c1C(=O)F)OC(C)CC2
InChIInChI=1S/C13H14F2O3/c1-7-5-9-4-3-8(2)18-11(9)12(17-6-14)10(7)13(15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyYPDSHFWEWANEMS-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride?
The IUPAC name of 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride (CID 89242607) is 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride.
What is the SMILES notation for 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride?
The canonical SMILES for 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride is Cc1cc2c(c(OCF)c1C(=O)F)OC(C)CC2.
What is the InChIKey of 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride?
The InChIKey is YPDSHFWEWANEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-7-5-9-4-3-8(2)18-11(9)12(17-6-14)10(7)13(15)16/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride?
8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride has a molecular weight of 256.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride is sourced from PubChem (CID 89242607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).