6,6-difluoro-2-methyloctadec-7-yne

C19H34F2 — CID 10380087

IUPAC6,6-difluoro-2-methyloctadec-7-yne
SMILESCCCCCCCCCCC#CC(F)(F)CCCC(C)C
InChIInChI=1S/C19H34F2/c1-4-5-6-7-8-9-10-11-12-13-16-19(20,21)17-14-15-18(2)3/h18H,4-12,14-15,17H2,1-3H3
InChIKeyZLVUFQYVVIWAKW-UHFFFAOYSA-N
MW300.48 g/mol
LogP6.98
Rot. Bonds12

About 6,6-difluoro-2-methyloctadec-7-yne

6,6-difluoro-2-methyloctadec-7-yne (PubChem CID 10380087) has the molecular formula C19H34F2 and a molecular weight of 300.48 g/mol. Its IUPAC name is 6,6-difluoro-2-methyloctadec-7-yne.

Molecular Properties

Compound Name6,6-difluoro-2-methyloctadec-7-yne
PubChem CID10380087
Molecular FormulaC19H34F2
Molecular Weight300.48 g/mol
Exact Mass300.26
IUPAC Name6,6-difluoro-2-methyloctadec-7-yne
SMILESCCCCCCCCCCC#CC(F)(F)CCCC(C)C
InChIInChI=1S/C19H34F2/c1-4-5-6-7-8-9-10-11-12-13-16-19(20,21)17-14-15-18(2)3/h18H,4-12,14-15,17H2,1-3H3
InChIKeyZLVUFQYVVIWAKW-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoroundec-2-yne
CID 87327647
6-fluoro-2,6-dimethylundecane
CID 155274662
2,2,3,3-tetramethyldodec-4-yne
CID 123959581
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
16-methylheptadecane-7,8-diol
CID 118508542
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
dodec-1-yn-1-ol
CID 23002297
hydroxylamine;2-methylnonadecane
CID 87902402
2-methylnonane;heptahydrofluoride
CID 160801749

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-methyloctadec-7-yne?
The IUPAC name of 6,6-difluoro-2-methyloctadec-7-yne (CID 10380087) is 6,6-difluoro-2-methyloctadec-7-yne.
What is the SMILES notation for 6,6-difluoro-2-methyloctadec-7-yne?
The canonical SMILES for 6,6-difluoro-2-methyloctadec-7-yne is CCCCCCCCCCC#CC(F)(F)CCCC(C)C.
What is the InChIKey of 6,6-difluoro-2-methyloctadec-7-yne?
The InChIKey is ZLVUFQYVVIWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2/c1-4-5-6-7-8-9-10-11-12-13-16-19(20,21)17-14-15-18(2)3/h18H,4-12,14-15,17H2,1-3H3.
What are the key properties of 6,6-difluoro-2-methyloctadec-7-yne?
6,6-difluoro-2-methyloctadec-7-yne has a molecular weight of 300.48 g/mol, XLogP of 6.98, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-methyloctadec-7-yne is sourced from PubChem (CID 10380087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).