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

C15H23FO — CID 165409856

IUPACethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC.CCC1CC(C)(C)Oc2cc(F)ccc21
InChIInChI=1S/C13H17FO.C2H6/c1-4-9-8-13(2,3)15-12-7-10(14)5-6-11(9)12;1-2/h5-7,9H,4,8H2,1-3H3;1-2H3
InChIKeySYOUDKCOQAQPKE-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.91
Rot. Bonds1

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

ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 165409856) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Nameethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
PubChem CID165409856
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Nameethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC.CCC1CC(C)(C)Oc2cc(F)ccc21
InChIInChI=1S/C13H17FO.C2H6/c1-4-9-8-13(2,3)15-12-7-10(14)5-6-11(9)12;1-2/h5-7,9H,4,8H2,1-3H3;1-2H3
InChIKeySYOUDKCOQAQPKE-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409857
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 ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene (CID 165409856) is ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene is CC.CCC1CC(C)(C)Oc2cc(F)ccc21.
What is the InChIKey of ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is SYOUDKCOQAQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO.C2H6/c1-4-9-8-13(2,3)15-12-7-10(14)5-6-11(9)12;1-2/h5-7,9H,4,8H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene?
ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 238.35 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 165409856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).