2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene

C19H26F2O — CID 59795105

IUPAC2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc2c(c1F)OC(CCCCC1CCCCC1)CC2
InChIInChI=1S/C19H26F2O/c20-17-13-11-15-10-12-16(22-19(15)18(17)21)9-5-4-8-14-6-2-1-3-7-14/h11,13-14,16H,1-10,12H2
InChIKeyIWOSWZNXMICSDR-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.80
Rot. Bonds5

About 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene

2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene (PubChem CID 59795105) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene
PubChem CID59795105
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc2c(c1F)OC(CCCCC1CCCCC1)CC2
InChIInChI=1S/C19H26F2O/c20-17-13-11-15-10-12-16(22-19(15)18(17)21)9-5-4-8-14-6-2-1-3-7-14/h11,13-14,16H,1-10,12H2
InChIKeyIWOSWZNXMICSDR-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene (CID 59795105) is 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene is Fc1ccc2c(c1F)OC(CCCCC1CCCCC1)CC2.
What is the InChIKey of 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is IWOSWZNXMICSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O/c20-17-13-11-15-10-12-16(22-19(15)18(17)21)9-5-4-8-14-6-2-1-3-7-14/h11,13-14,16H,1-10,12H2.
What are the key properties of 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 308.41 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).