1-(3,4-difluorododec-1-en-3-yl)naphthalene

C22H28F2 — CID 152550458

IUPAC1-(3,4-difluorododec-1-en-3-yl)naphthalene
SMILESC=CC(F)(c1cccc2ccccc12)C(F)CCCCCCCC
InChIInChI=1S/C22H28F2/c1-3-5-6-7-8-9-17-21(23)22(24,4-2)20-16-12-14-18-13-10-11-15-19(18)20/h4,10-16,21H,2-3,5-9,17H2,1H3
InChIKeyYNJKBALVJCRESG-UHFFFAOYSA-N
MW330.46 g/mol
LogP7.28
Rot. Bonds10

About 1-(3,4-difluorododec-1-en-3-yl)naphthalene

1-(3,4-difluorododec-1-en-3-yl)naphthalene (PubChem CID 152550458) has the molecular formula C22H28F2 and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-(3,4-difluorododec-1-en-3-yl)naphthalene.

Molecular Properties

Compound Name1-(3,4-difluorododec-1-en-3-yl)naphthalene
PubChem CID152550458
Molecular FormulaC22H28F2
Molecular Weight330.46 g/mol
Exact Mass330.22
IUPAC Name1-(3,4-difluorododec-1-en-3-yl)naphthalene
SMILESC=CC(F)(c1cccc2ccccc12)C(F)CCCCCCCC
InChIInChI=1S/C22H28F2/c1-3-5-6-7-8-9-17-21(23)22(24,4-2)20-16-12-14-18-13-10-11-15-19(18)20/h4,10-16,21H,2-3,5-9,17H2,1H3
InChIKeyYNJKBALVJCRESG-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
CID 150761297
1-hexadecan-6-ylnaphthalene
CID 14029925
1-tetracosan-9-ylnaphthalene
CID 175897855
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
heptane;phenanthrene
CID 157482146
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
1-octacosan-4-ylnaphthalene
CID 54149804
1-decan-5-ylnaphthalene
CID 14029915

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorododec-1-en-3-yl)naphthalene?
The IUPAC name of 1-(3,4-difluorododec-1-en-3-yl)naphthalene (CID 152550458) is 1-(3,4-difluorododec-1-en-3-yl)naphthalene.
What is the SMILES notation for 1-(3,4-difluorododec-1-en-3-yl)naphthalene?
The canonical SMILES for 1-(3,4-difluorododec-1-en-3-yl)naphthalene is C=CC(F)(c1cccc2ccccc12)C(F)CCCCCCCC.
What is the InChIKey of 1-(3,4-difluorododec-1-en-3-yl)naphthalene?
The InChIKey is YNJKBALVJCRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2/c1-3-5-6-7-8-9-17-21(23)22(24,4-2)20-16-12-14-18-13-10-11-15-19(18)20/h4,10-16,21H,2-3,5-9,17H2,1H3.
What are the key properties of 1-(3,4-difluorododec-1-en-3-yl)naphthalene?
1-(3,4-difluorododec-1-en-3-yl)naphthalene has a molecular weight of 330.46 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorododec-1-en-3-yl)naphthalene is sourced from PubChem (CID 152550458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).