6-(4,4-difluorobutyl)-5,5-dimethylundecane

C17H34F2 — CID 88795161

IUPAC6-(4,4-difluorobutyl)-5,5-dimethylundecane
SMILESCCCCCC(CCCC(F)F)C(C)(C)CCCC
InChIInChI=1S/C17H34F2/c1-5-7-9-11-15(12-10-13-16(18)19)17(3,4)14-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyXMVLWCFTYPEUCU-UHFFFAOYSA-N
MW276.45 g/mol
LogP6.83
Rot. Bonds12

About 6-(4,4-difluorobutyl)-5,5-dimethylundecane

6-(4,4-difluorobutyl)-5,5-dimethylundecane (PubChem CID 88795161) has the molecular formula C17H34F2 and a molecular weight of 276.45 g/mol. Its IUPAC name is 6-(4,4-difluorobutyl)-5,5-dimethylundecane.

Molecular Properties

Compound Name6-(4,4-difluorobutyl)-5,5-dimethylundecane
PubChem CID88795161
Molecular FormulaC17H34F2
Molecular Weight276.45 g/mol
Exact Mass276.26
IUPAC Name6-(4,4-difluorobutyl)-5,5-dimethylundecane
SMILESCCCCCC(CCCC(F)F)C(C)(C)CCCC
InChIInChI=1S/C17H34F2/c1-5-7-9-11-15(12-10-13-16(18)19)17(3,4)14-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyXMVLWCFTYPEUCU-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.45
LogP ≤ 56.83
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

11-(2-methylheptan-2-yl)docosane
CID 57252514
6-tert-butylundecane
CID 90714582
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
CID 58419046
1,1-difluoro-6,6-dimethylheptane
CID 162546967
9-tert-butylhenicosane
CID 150708915
1-ethoxy-5,5-dimethyl-4-propylundecane
CID 130434070
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
14-hexyl-13-(2-methylundecan-2-yl)triacontane
CID 19962270
5,6-dibutylicosan-5-ylazanium bromide
CID 3014489
2,4,4-trimethyl-5-propyldecan-2-amine
CID 154971015

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorobutyl)-5,5-dimethylundecane?
The IUPAC name of 6-(4,4-difluorobutyl)-5,5-dimethylundecane (CID 88795161) is 6-(4,4-difluorobutyl)-5,5-dimethylundecane.
What is the SMILES notation for 6-(4,4-difluorobutyl)-5,5-dimethylundecane?
The canonical SMILES for 6-(4,4-difluorobutyl)-5,5-dimethylundecane is CCCCCC(CCCC(F)F)C(C)(C)CCCC.
What is the InChIKey of 6-(4,4-difluorobutyl)-5,5-dimethylundecane?
The InChIKey is XMVLWCFTYPEUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F2/c1-5-7-9-11-15(12-10-13-16(18)19)17(3,4)14-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 6-(4,4-difluorobutyl)-5,5-dimethylundecane?
6-(4,4-difluorobutyl)-5,5-dimethylundecane has a molecular weight of 276.45 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorobutyl)-5,5-dimethylundecane is sourced from PubChem (CID 88795161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).