1,1,1,2,2-pentafluoro-3,3-dimethyldodecane

C14H25F5 — CID 151241914

IUPAC1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
SMILESCCCCCCCCCC(C)(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H25F5/c1-4-5-6-7-8-9-10-11-12(2,3)13(15,16)14(17,18)19/h4-11H2,1-3H3
InChIKeyNQMNPBXNGQVOLO-UHFFFAOYSA-N
MW288.34 g/mol
LogP6.35
Rot. Bonds9

About 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane

1,1,1,2,2-pentafluoro-3,3-dimethyldodecane (PubChem CID 151241914) has the molecular formula C14H25F5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
PubChem CID151241914
Molecular FormulaC14H25F5
Molecular Weight288.34 g/mol
Exact Mass288.19
IUPAC Name1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
SMILESCCCCCCCCCC(C)(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H25F5/c1-4-5-6-7-8-9-10-11-12(2,3)13(15,16)14(17,18)19/h4-11H2,1-3H3
InChIKeyNQMNPBXNGQVOLO-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.34
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 154220543
5,5,6,6-tetramethyltridecane
CID 173349107
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2-pentafluorononadecane
CID 98452406
1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
CID 22348772
1,1,1-trifluorohexadecane
CID 15685316

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane (CID 151241914) is 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane is CCCCCCCCCC(C)(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane?
The InChIKey is NQMNPBXNGQVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F5/c1-4-5-6-7-8-9-10-11-12(2,3)13(15,16)14(17,18)19/h4-11H2,1-3H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane?
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane has a molecular weight of 288.34 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3,3-dimethyldodecane is sourced from PubChem (CID 151241914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).