1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate

C12H16F6O2 — CID 125478847

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate
SMILESO=C(CCC1CCCCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyKLRDDCRPIWCVPZ-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.38
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate

1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate (PubChem CID 125478847) has the molecular formula C12H16F6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate
PubChem CID125478847
Molecular FormulaC12H16F6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate
SMILESO=C(CCC1CCCCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyKLRDDCRPIWCVPZ-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate (CID 125478847) is 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate is O=C(CCC1CCCCC1)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate?
The InChIKey is KLRDDCRPIWCVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h8,10H,1-7H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate?
1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate has a molecular weight of 306.25 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate is sourced from PubChem (CID 125478847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).