9,9-difluoro-2-methyloctadec-7-yne

C19H34F2 — CID 11779584

IUPAC9,9-difluoro-2-methyloctadec-7-yne
SMILESCCCCCCCCCC(F)(F)C#CCCCCC(C)C
InChIInChI=1S/C19H34F2/c1-4-5-6-7-8-10-13-16-19(20,21)17-14-11-9-12-15-18(2)3/h18H,4-13,15-16H2,1-3H3
InChIKeyAMJHRSMWXXKDNN-UHFFFAOYSA-N
MW300.48 g/mol
LogP6.98
Rot. Bonds12

About 9,9-difluoro-2-methyloctadec-7-yne

9,9-difluoro-2-methyloctadec-7-yne (PubChem CID 11779584) has the molecular formula C19H34F2 and a molecular weight of 300.48 g/mol. Its IUPAC name is 9,9-difluoro-2-methyloctadec-7-yne.

Molecular Properties

Compound Name9,9-difluoro-2-methyloctadec-7-yne
PubChem CID11779584
Molecular FormulaC19H34F2
Molecular Weight300.48 g/mol
Exact Mass300.26
IUPAC Name9,9-difluoro-2-methyloctadec-7-yne
SMILESCCCCCCCCCC(F)(F)C#CCCCCC(C)C
InChIInChI=1S/C19H34F2/c1-4-5-6-7-8-10-13-16-19(20,21)17-14-11-9-12-15-18(2)3/h18H,4-13,15-16H2,1-3H3
InChIKeyAMJHRSMWXXKDNN-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

7-Octadecyne, 2-methyl-
CID 118810
9-Fluoro-2-methyloctadec-7-yne
CID 85783848
CID 170854908
CID 170854908
(1,1-Difluoroheptadec-3-yn-1-yl)cyclohexane
CID 170854910
6,6-Difluoro-2-methyloctadec-7-yne
CID 10380087
3,3-Difluoro-2-methylheptadecane
CID 22951834
9-(Trifluoromethyl)nonadecane
CID 56986122
1,1,1-Trifluoro-4-methyldec-2-yne
CID 89106520
9-(Trifluoromethyl)octadecane
CID 89253397
2,2-Difluorononadecylcycloundecane
CID 90054056
4-(Trifluoromethyl)cyclododecyne
CID 90709011
7-(Difluoromethyl)pentadecane
CID 117700070

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-2-methyloctadec-7-yne?
The IUPAC name of 9,9-difluoro-2-methyloctadec-7-yne (CID 11779584) is 9,9-difluoro-2-methyloctadec-7-yne.
What is the SMILES notation for 9,9-difluoro-2-methyloctadec-7-yne?
The canonical SMILES for 9,9-difluoro-2-methyloctadec-7-yne is CCCCCCCCCC(F)(F)C#CCCCCC(C)C.
What is the InChIKey of 9,9-difluoro-2-methyloctadec-7-yne?
The InChIKey is AMJHRSMWXXKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2/c1-4-5-6-7-8-10-13-16-19(20,21)17-14-11-9-12-15-18(2)3/h18H,4-13,15-16H2,1-3H3.
What are the key properties of 9,9-difluoro-2-methyloctadec-7-yne?
9,9-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 9,9-difluoro-2-methyloctadec-7-yne is sourced from PubChem (CID 11779584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).