ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene

C12H17FO — CID 143996502

IUPACethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
SMILESCC.CC1COc2ccc(F)cc2C1
InChIInChI=1S/C10H11FO.C2H6/c1-7-4-8-5-9(11)2-3-10(8)12-6-7;1-2/h2-3,5,7H,4,6H2,1H3;1-2H3
InChIKeyIDJNNMOWKPIDID-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.42
Rot. Bonds

About ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene

ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene (PubChem CID 143996502) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Nameethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
PubChem CID143996502
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Nameethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
SMILESCC.CC1COc2ccc(F)cc2C1
InChIInChI=1S/C10H11FO.C2H6/c1-7-4-8-5-9(11)2-3-10(8)12-6-7;1-2/h2-3,5,7H,4,6H2,1H3;1-2H3
InChIKeyIDJNNMOWKPIDID-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
CID 151913158
6-fluoro-3-nitro-3,4-dihydro-2H-chromene
CID 55268431
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 154799491
7-fluoro-3-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 146205394
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
3-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine
CID 155324064

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene (CID 143996502) is ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene is CC.CC1COc2ccc(F)cc2C1.
What is the InChIKey of ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene?
The InChIKey is IDJNNMOWKPIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO.C2H6/c1-7-4-8-5-9(11)2-3-10(8)12-6-7;1-2/h2-3,5,7H,4,6H2,1H3;1-2H3.
What are the key properties of ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene?
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene has a molecular weight of 196.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143996502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).