6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene

C16H21FO — CID 143211285

IUPAC6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCC1CCC(C2COc3ccc(F)cc3C2)CC1
InChIInChI=1S/C16H21FO/c1-11-2-4-12(5-3-11)14-8-13-9-15(17)6-7-16(13)18-10-14/h6-7,9,11-12,14H,2-5,8,10H2,1H3
InChIKeyKCWOWOVVBGTCFN-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.20
Rot. Bonds1

About 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene

6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene (PubChem CID 143211285) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
PubChem CID143211285
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCC1CCC(C2COc3ccc(F)cc3C2)CC1
InChIInChI=1S/C16H21FO/c1-11-2-4-12(5-3-11)14-8-13-9-15(17)6-7-16(13)18-10-14/h6-7,9,11-12,14H,2-5,8,10H2,1H3
InChIKeyKCWOWOVVBGTCFN-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
6-fluoro-3-nitro-3,4-dihydro-2H-chromene
CID 55268431
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
CID 151913158
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861
2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105477601
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 154799491
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959
5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
CID 145288819

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene (CID 143211285) is 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene is CC1CCC(C2COc3ccc(F)cc3C2)CC1.
What is the InChIKey of 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene?
The InChIKey is KCWOWOVVBGTCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-11-2-4-12(5-3-11)14-8-13-9-15(17)6-7-16(13)18-10-14/h6-7,9,11-12,14H,2-5,8,10H2,1H3.
What are the key properties of 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene?
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene has a molecular weight of 248.34 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143211285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).