6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran

C15H23FO — CID 54020045

IUPAC6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESCC1=CCC(CCC2CCC(C)=C(F)O2)CC1
InChIInChI=1S/C15H23FO/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16)17-14/h3,13-14H,4-10H2,1-2H3
InChIKeyKYHHIWQRVNFNHZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.89
Rot. Bonds3

About 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran

6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran (PubChem CID 54020045) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
PubChem CID54020045
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESCC1=CCC(CCC2CCC(C)=C(F)O2)CC1
InChIInChI=1S/C15H23FO/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16)17-14/h3,13-14H,4-10H2,1-2H3
InChIKeyKYHHIWQRVNFNHZ-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran (CID 54020045) is 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran is CC1=CCC(CCC2CCC(C)=C(F)O2)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran?
The InChIKey is KYHHIWQRVNFNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16)17-14/h3,13-14H,4-10H2,1-2H3.
What are the key properties of 6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran?
6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran has a molecular weight of 238.35 g/mol, XLogP of 4.89, 3 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-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54020045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).