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

C25H39FO — CID 54168615

IUPAC6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=CCC(C2CCC(C3CCC(C4CCC(C)=C(F)O4)CC3)CC2)CC1
InChIInChI=1S/C25H39FO/c1-17-3-6-19(7-4-17)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-5-18(2)25(26)27-24/h3,19-24H,4-16H2,1-2H3
InChIKeyOTKOTYDMUSVHSP-UHFFFAOYSA-N
MW374.58 g/mol
LogP7.73
Rot. Bonds3

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

6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 54168615) has the molecular formula C25H39FO and a molecular weight of 374.58 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID54168615
Molecular FormulaC25H39FO
Molecular Weight374.58 g/mol
Exact Mass374.30
IUPAC Name6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=CCC(C2CCC(C3CCC(C4CCC(C)=C(F)O4)CC3)CC2)CC1
InChIInChI=1S/C25H39FO/c1-17-3-6-19(7-4-17)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-5-18(2)25(26)27-24/h3,19-24H,4-16H2,1-2H3
InChIKeyOTKOTYDMUSVHSP-UHFFFAOYSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.58
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Related Compounds

1-[(E)-7-fluorohept-1-enyl]-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695231
1-butoxy-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695245
1-[(E)-6-fluorohex-2-enyl]-4-[4-[4-(1-methoxyethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 19695252
1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19695318
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441
1-[(E)-5-fluorohept-3-enyl]-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695469
1-ethoxy-4-[4-[(E)-7-fluorohept-4-enyl]cyclohexyl]cyclohexane
CID 19695478
2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]butyl]cyclohexyl]-5-[4-[(E)-pent-3-enyl]cyclohexyl]oxane
CID 20599608
2-[4-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]butyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-3-enyl]oxane
CID 20599624
2-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]butyl]oxane
CID 20599654

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran (CID 54168615) is 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran is CC1=CCC(C2CCC(C3CCC(C4CCC(C)=C(F)O4)CC3)CC2)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is OTKOTYDMUSVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39FO/c1-17-3-6-19(7-4-17)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-5-18(2)25(26)27-24/h3,19-24H,4-16H2,1-2H3.
What are the key properties of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 374.58 g/mol, XLogP of 7.73, 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-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54168615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).