6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran

C18H29FO2 — CID 54037797

IUPAC6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C3CCC(C)CO3)CC2)CC1
InChIInChI=1S/C18H29FO2/c1-12-3-9-16(20-11-12)14-5-7-15(8-6-14)17-10-4-13(2)18(19)21-17/h12,14-17H,3-11H2,1-2H3
InChIKeyLKEXGWDVWMHTJY-UHFFFAOYSA-N
MW296.43 g/mol
LogP4.99
Rot. Bonds2

About 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran

6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 54037797) has the molecular formula C18H29FO2 and a molecular weight of 296.43 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID54037797
Molecular FormulaC18H29FO2
Molecular Weight296.43 g/mol
Exact Mass296.22
IUPAC Name6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C3CCC(C)CO3)CC2)CC1
InChIInChI=1S/C18H29FO2/c1-12-3-9-16(20-11-12)14-5-7-15(8-6-14)17-10-4-13(2)18(19)21-17/h12,14-17H,3-11H2,1-2H3
InChIKeyLKEXGWDVWMHTJY-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran (CID 54037797) is 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran is CC1=C(F)OC(C2CCC(C3CCC(C)CO3)CC2)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is LKEXGWDVWMHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FO2/c1-12-3-9-16(20-11-12)14-5-7-15(8-6-14)17-10-4-13(2)18(19)21-17/h12,14-17H,3-11H2,1-2H3.
What are the key properties of 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran?
6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 296.43 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54037797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).