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

C19H31FO — CID 54193750

IUPAC6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C19H31FO/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20)21-18/h13,15-18H,3-12H2,1-2H3
InChIKeyPKHUEWAEYVSBOS-UHFFFAOYSA-N
MW294.45 g/mol
LogP6.00
Rot. Bonds2

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

6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 54193750) has the molecular formula C19H31FO and a molecular weight of 294.45 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID54193750
Molecular FormulaC19H31FO
Molecular Weight294.45 g/mol
Exact Mass294.24
IUPAC Name6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C19H31FO/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20)21-18/h13,15-18H,3-12H2,1-2H3
InChIKeyPKHUEWAEYVSBOS-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran (CID 54193750) is 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran is CC1=C(F)OC(C2CCC(C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is PKHUEWAEYVSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FO/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20)21-18/h13,15-18H,3-12H2,1-2H3.
What are the key properties of 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 294.45 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54193750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).