2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane

C10H11F9O2 — CID 11045884

IUPAC2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
SMILESCC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H11F9O2/c1-6(2)20-4-5(21-6)3-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,3-4H2,1-2H3
InChIKeyHEAVXRVQEBZTJQ-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.00
Rot. Bonds4

About 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane

2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane (PubChem CID 11045884) has the molecular formula C10H11F9O2 and a molecular weight of 334.18 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
PubChem CID11045884
Molecular FormulaC10H11F9O2
Molecular Weight334.18 g/mol
Exact Mass334.06
IUPAC Name2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
SMILESCC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H11F9O2/c1-6(2)20-4-5(21-6)3-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,3-4H2,1-2H3
InChIKeyHEAVXRVQEBZTJQ-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
CID 59269279
CID 59269279
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane
CID 137496015
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane (CID 11045884) is 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane is CC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
The InChIKey is HEAVXRVQEBZTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O2/c1-6(2)20-4-5(21-6)3-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane has a molecular weight of 334.18 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane is sourced from PubChem (CID 11045884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).