(4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane

C14H26F2O2 — CID 21178127

IUPAC(4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCCCC(F)(F)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H26F2O2/c1-4-5-6-7-8-9-10-14(15,16)12-11-17-13(2,3)18-12/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeySBLNNOHIPBMRRL-GFCCVEGCSA-N
MW264.36 g/mol
LogP4.52
Rot. Bonds8

About (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 21178127) has the molecular formula C14H26F2O2 and a molecular weight of 264.36 g/mol. Its IUPAC name is (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID21178127
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name(4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCCCC(F)(F)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H26F2O2/c1-4-5-6-7-8-9-10-14(15,16)12-11-17-13(2,3)18-12/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeySBLNNOHIPBMRRL-GFCCVEGCSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyltetradec-3-ene-1,5-diol
CID 135048432
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-trihexylphosphanium
CID 177451904
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4S)-2,2-dimethyl-4-(octylsulfanyloxymethyl)-1,3-dioxolane
CID 166695399
1,1,1-trifluorohexadecane
CID 15685316
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-2-yn-1-one
CID 21178118
3-(5-methyldodecan-5-yl)oxetane
CID 130337165

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane (CID 21178127) is (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane is CCCCCCCCC(F)(F)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is SBLNNOHIPBMRRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-4-5-6-7-8-9-10-14(15,16)12-11-17-13(2,3)18-12/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 264.36 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,1-difluorononyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 21178127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).