1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane

C7H7F7 — CID 155107426

IUPAC1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
SMILESCC1C(C)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H7F7/c1-3-4(2,8)6(11,12)7(13,14)5(3,9)10/h3H,1-2H3
InChIKeyHCUVAGQXIPEUFT-UHFFFAOYSA-N
MW224.12 g/mol
LogP3.27
Rot. Bonds

About 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane

1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane (PubChem CID 155107426) has the molecular formula C7H7F7 and a molecular weight of 224.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
PubChem CID155107426
Molecular FormulaC7H7F7
Molecular Weight224.12 g/mol
Exact Mass224.04
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
SMILESCC1C(C)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H7F7/c1-3-4(2,8)6(11,12)7(13,14)5(3,9)10/h3H,1-2H3
InChIKeyHCUVAGQXIPEUFT-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 53.27
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

1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol
CID 134604963
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,2-trichloro-2,3-dimethylcyclopropane
CID 70491596
1-chloro-1,2,2,3-tetramethylcyclopropane
CID 14202704
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
CID 88625549
3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
CID 58957734
1,1,2-trifluoro-2,3,5-trimethylcyclohexane
CID 161062506

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane (CID 155107426) is 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane is CC1C(C)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane?
The InChIKey is HCUVAGQXIPEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7/c1-3-4(2,8)6(11,12)7(13,14)5(3,9)10/h3H,1-2H3.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane?
1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane has a molecular weight of 224.12 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane is sourced from PubChem (CID 155107426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).