(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate

C15H24Cl2F4O2 — CID 154319228

IUPAC(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C15H24Cl2F4O2/c1-2-3-4-5-6-7-8-9-10-11-12(22)23-13(14(16,18)19)15(17,20)21/h13H,2-11H2,1H3
InChIKeyCSXDPWJZFIGMCD-UHFFFAOYSA-N
MW383.25 g/mol
LogP6.48
Rot. Bonds13

About (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate

(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate (PubChem CID 154319228) has the molecular formula C15H24Cl2F4O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate.

Molecular Properties

Compound Name(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate
PubChem CID154319228
Molecular FormulaC15H24Cl2F4O2
Molecular Weight383.25 g/mol
Exact Mass382.11
IUPAC Name(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C15H24Cl2F4O2/c1-2-3-4-5-6-7-8-9-10-11-12(22)23-13(14(16,18)19)15(17,20)21/h13H,2-11H2,1H3
InChIKeyCSXDPWJZFIGMCD-UHFFFAOYSA-N
XLogP6.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) butanoate
CID 53438395
3,3,3-trifluoro-2-hexadecanoyloxypropane-1-sulfonic acid
CID 129061685
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
dihydroxymethyl nonanoate
CID 118275765
1-chloropropyl octanoate
CID 177226407
(1-hydroxy-2-oxopropyl) decanoate
CID 173472783
1-octadecanoyloxyoctyl octadecanoate
CID 140629653
1-pentadecanoyloxyoctyl pentadecanoate
CID 140629767
1-icosanoyloxydodecyl icosanoate
CID 121388091
1-hydroxyethyl hexadecanoate
CID 87454687
1-hydroxyethyl decanoate
CID 176884014

Frequently Asked Questions

What is the IUPAC name of (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate?
The IUPAC name of (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate (CID 154319228) is (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate.
What is the SMILES notation for (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate?
The canonical SMILES for (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate is CCCCCCCCCCCC(=O)OC(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate?
The InChIKey is CSXDPWJZFIGMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2F4O2/c1-2-3-4-5-6-7-8-9-10-11-12(22)23-13(14(16,18)19)15(17,20)21/h13H,2-11H2,1H3.
What are the key properties of (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate?
(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate has a molecular weight of 383.25 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate is sourced from PubChem (CID 154319228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).