4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene

C13H17FO — CID 165409857

IUPAC4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCCC1CC(C)(C)Oc2cc(F)ccc21
InChIInChI=1S/C13H17FO/c1-4-9-8-13(2,3)15-12-7-10(14)5-6-11(9)12/h5-7,9H,4,8H2,1-3H3
InChIKeyOKYGNLKRCOTDKE-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.88
Rot. Bonds1

About 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene

4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 165409857) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
PubChem CID165409857
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCCC1CC(C)(C)Oc2cc(F)ccc21
InChIInChI=1S/C13H17FO/c1-4-9-8-13(2,3)15-12-7-10(14)5-6-11(9)12/h5-7,9H,4,8H2,1-3H3
InChIKeyOKYGNLKRCOTDKE-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409856
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
CID 165409875
7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
CID 165409830
(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide
CID 165409946
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 138053146
(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
CID 163222504

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene (CID 165409857) is 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene is CCC1CC(C)(C)Oc2cc(F)ccc21.
What is the InChIKey of 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is OKYGNLKRCOTDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-4-9-8-13(2,3)15-12-7-10(14)5-6-11(9)12/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 208.28 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 165409857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).