(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate

C13H15FO3 — CID 174747498

IUPAC(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C13H15FO3/c1-8(15)16-12-7-13(2,3)17-11-5-4-9(14)6-10(11)12/h4-6,12H,7H2,1-3H3
InChIKeyGNYANLKFUIEDKJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.99
Rot. Bonds1

About (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate

(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate (PubChem CID 174747498) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate.

Molecular Properties

Compound Name(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
PubChem CID174747498
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C13H15FO3/c1-8(15)16-12-7-13(2,3)17-11-5-4-9(14)6-10(11)12/h4-6,12H,7H2,1-3H3
InChIKeyGNYANLKFUIEDKJ-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
4-acetyloxy-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 119027398
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide
CID 67597790
2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
CID 123599111
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
ethyl 4-[[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]pyrimidine-2-carboxylate
CID 167974684
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide
CID 136550892
1-(2-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 11609951
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide
CID 136549794
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate?
The IUPAC name of (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate (CID 174747498) is (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate.
What is the SMILES notation for (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate?
The canonical SMILES for (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate is CC(=O)OC1CC(C)(C)Oc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate?
The InChIKey is GNYANLKFUIEDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-8(15)16-12-7-13(2,3)17-11-5-4-9(14)6-10(11)12/h4-6,12H,7H2,1-3H3.
What are the key properties of (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate?
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate has a molecular weight of 238.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate is sourced from PubChem (CID 174747498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).