2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene

C24H26F2O — CID 174412799

IUPAC2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene
SMILESCCCCCC(Cc1ccc2ccccc2c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H26F2O/c1-2-3-4-8-22(20-12-14-23(15-13-20)27-24(25)26)17-18-10-11-19-7-5-6-9-21(19)16-18/h5-7,9-16,22,24H,2-4,8,17H2,1H3
InChIKeyRVBPFRWOXFRBJF-UHFFFAOYSA-N
MW368.47 g/mol
LogP7.35
Rot. Bonds9

About 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene

2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene (PubChem CID 174412799) has the molecular formula C24H26F2O and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene
PubChem CID174412799
Molecular FormulaC24H26F2O
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene
SMILESCCCCCC(Cc1ccc2ccccc2c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H26F2O/c1-2-3-4-8-22(20-12-14-23(15-13-20)27-24(25)26)17-18-10-11-19-7-5-6-9-21(19)16-18/h5-7,9-16,22,24H,2-4,8,17H2,1H3
InChIKeyRVBPFRWOXFRBJF-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 57.35
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-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene (CID 174412799) is 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene is CCCCCC(Cc1ccc2ccccc2c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene?
The InChIKey is RVBPFRWOXFRBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2O/c1-2-3-4-8-22(20-12-14-23(15-13-20)27-24(25)26)17-18-10-11-19-7-5-6-9-21(19)16-18/h5-7,9-16,22,24H,2-4,8,17H2,1H3.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene?
2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene has a molecular weight of 368.47 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene is sourced from PubChem (CID 174412799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).