2-(5,5-difluoropentyl)naphthalene

C15H16F2 — CID 68979271

IUPAC2-(5,5-difluoropentyl)naphthalene
SMILESFC(F)CCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H16F2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11,15H,1,4-5,8H2
InChIKeyQWKZXGSJJQIGSG-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.82
Rot. Bonds5

About 2-(5,5-difluoropentyl)naphthalene

2-(5,5-difluoropentyl)naphthalene (PubChem CID 68979271) has the molecular formula C15H16F2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(5,5-difluoropentyl)naphthalene.

Molecular Properties

Compound Name2-(5,5-difluoropentyl)naphthalene
PubChem CID68979271
Molecular FormulaC15H16F2
Molecular Weight234.29 g/mol
Exact Mass234.12
IUPAC Name2-(5,5-difluoropentyl)naphthalene
SMILESFC(F)CCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H16F2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11,15H,1,4-5,8H2
InChIKeyQWKZXGSJJQIGSG-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
6-naphthalen-2-ylhexan-2-ol
CID 19933710
ethane;2-hexylnaphthalene
CID 142191207
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
2-octylanthracene
CID 23131226
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
2-dodec-11-enylnaphthalene
CID 101307470
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluoropentyl)naphthalene?
The IUPAC name of 2-(5,5-difluoropentyl)naphthalene (CID 68979271) is 2-(5,5-difluoropentyl)naphthalene.
What is the SMILES notation for 2-(5,5-difluoropentyl)naphthalene?
The canonical SMILES for 2-(5,5-difluoropentyl)naphthalene is FC(F)CCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-(5,5-difluoropentyl)naphthalene?
The InChIKey is QWKZXGSJJQIGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11,15H,1,4-5,8H2.
What are the key properties of 2-(5,5-difluoropentyl)naphthalene?
2-(5,5-difluoropentyl)naphthalene has a molecular weight of 234.29 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluoropentyl)naphthalene is sourced from PubChem (CID 68979271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).