7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene

C18H22F4O3 — CID 162549689

IUPAC7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene
SMILESCC1CCC(COC2CCc3cc(OC(F)(F)F)c(F)cc3O2)CC1
InChIInChI=1S/C18H22F4O3/c1-11-2-4-12(5-3-11)10-23-17-7-6-13-8-16(25-18(20,21)22)14(19)9-15(13)24-17/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyOYYXHDWLHJKUNN-UHFFFAOYSA-N
MW362.36 g/mol
LogP5.22
Rot. Bonds4

About 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene

7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene (PubChem CID 162549689) has the molecular formula C18H22F4O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene
PubChem CID162549689
Molecular FormulaC18H22F4O3
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene
SMILESCC1CCC(COC2CCc3cc(OC(F)(F)F)c(F)cc3O2)CC1
InChIInChI=1S/C18H22F4O3/c1-11-2-4-12(5-3-11)10-23-17-7-6-13-8-16(25-18(20,21)22)14(19)9-15(13)24-17/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyOYYXHDWLHJKUNN-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene (CID 162549689) is 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene is CC1CCC(COC2CCc3cc(OC(F)(F)F)c(F)cc3O2)CC1.
What is the InChIKey of 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
The InChIKey is OYYXHDWLHJKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4O3/c1-11-2-4-12(5-3-11)10-23-17-7-6-13-8-16(25-18(20,21)22)14(19)9-15(13)24-17/h8-9,11-12,17H,2-7,10H2,1H3.
What are the key properties of 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene has a molecular weight of 362.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 162549689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).