2,3,3,4,4-pentafluoro-2-methylhexane

C7H11F5 — CID 170083407

IUPAC2,3,3,4,4-pentafluoro-2-methylhexane
SMILESCCC(F)(F)C(F)(F)C(C)(C)F
InChIInChI=1S/C7H11F5/c1-4-6(9,10)7(11,12)5(2,3)8/h4H2,1-3H3
InChIKeyUNKLKCVKRVDWQR-UHFFFAOYSA-N
MW190.15 g/mol
LogP3.42
Rot. Bonds3

About 2,3,3,4,4-pentafluoro-2-methylhexane

2,3,3,4,4-pentafluoro-2-methylhexane (PubChem CID 170083407) has the molecular formula C7H11F5 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-2-methylhexane.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-2-methylhexane
PubChem CID170083407
Molecular FormulaC7H11F5
Molecular Weight190.15 g/mol
Exact Mass190.08
IUPAC Name2,3,3,4,4-pentafluoro-2-methylhexane
SMILESCCC(F)(F)C(F)(F)C(C)(C)F
InChIInChI=1S/C7H11F5/c1-4-6(9,10)7(11,12)5(2,3)8/h4H2,1-3H3
InChIKeyUNKLKCVKRVDWQR-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoropentane
CID 12951106
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
CID 158342354
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorononan-1-ol
CID 162621203
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
ethane;2-fluoro-2-methylbutane
CID 143329956
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene
CID 19913308
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
CID 59211709
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentafluoro-2-methylhexane?
The IUPAC name of 2,3,3,4,4-pentafluoro-2-methylhexane (CID 170083407) is 2,3,3,4,4-pentafluoro-2-methylhexane.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-2-methylhexane?
The canonical SMILES for 2,3,3,4,4-pentafluoro-2-methylhexane is CCC(F)(F)C(F)(F)C(C)(C)F.
What is the InChIKey of 2,3,3,4,4-pentafluoro-2-methylhexane?
The InChIKey is UNKLKCVKRVDWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5/c1-4-6(9,10)7(11,12)5(2,3)8/h4H2,1-3H3.
What are the key properties of 2,3,3,4,4-pentafluoro-2-methylhexane?
2,3,3,4,4-pentafluoro-2-methylhexane has a molecular weight of 190.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-2-methylhexane is sourced from PubChem (CID 170083407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).