(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

C8H6F8O3 — CID 11738169

IUPAC(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESCC(F)(F)C[C@@H]1OC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C8H6F8O3/c1-5(9,10)2-3-4(17)19-6(18-3,7(11,12)13)8(14,15)16/h3H,2H2,1H3/t3-/m0/s1
InChIKeyMOYATYGFAVSMJP-VKHMYHEASA-N
MW302.12 g/mol
LogP2.79
Rot. Bonds2

About (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (PubChem CID 11738169) has the molecular formula C8H6F8O3 and a molecular weight of 302.12 g/mol. Its IUPAC name is (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
PubChem CID11738169
Molecular FormulaC8H6F8O3
Molecular Weight302.12 g/mol
Exact Mass302.02
IUPAC Name(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESCC(F)(F)C[C@@H]1OC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C8H6F8O3/c1-5(9,10)2-3-4(17)19-6(18-3,7(11,12)13)8(14,15)16/h3H,2H2,1H3/t3-/m0/s1
InChIKeyMOYATYGFAVSMJP-VKHMYHEASA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (CID 11738169) is (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is CC(F)(F)C[C@@H]1OC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The InChIKey is MOYATYGFAVSMJP-VKHMYHEASA-N. The full InChI is InChI=1S/C8H6F8O3/c1-5(9,10)2-3-4(17)19-6(18-3,7(11,12)13)8(14,15)16/h3H,2H2,1H3/t3-/m0/s1.
What are the key properties of (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one has a molecular weight of 302.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 11738169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).