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

C5F8O3 — CID 166813254

IUPAC(4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(C(F)(F)F)[C@](F)(C(F)(F)F)O1
InChIInChI=1S/C5F8O3/c6-2(4(8,9)10)3(7,5(11,12)13)16-1(14)15-2/t2-,3?/m1/s1
InChIKeyYUJOJBNFTLTVPD-STYMGOOTSA-N
MW260.04 g/mol
LogP2.61
Rot. Bonds

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

(4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 166813254) has the molecular formula C5F8O3 and a molecular weight of 260.04 g/mol. Its IUPAC name is (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID166813254
Molecular FormulaC5F8O3
Molecular Weight260.04 g/mol
Exact Mass259.97
IUPAC Name(4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(C(F)(F)F)[C@](F)(C(F)(F)F)O1
InChIInChI=1S/C5F8O3/c6-2(4(8,9)10)3(7,5(11,12)13)16-1(14)15-2/t2-,3?/m1/s1
InChIKeyYUJOJBNFTLTVPD-STYMGOOTSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (CID 166813254) is (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(F)(C(F)(F)F)[C@](F)(C(F)(F)F)O1.
What is the InChIKey of (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is YUJOJBNFTLTVPD-STYMGOOTSA-N. The full InChI is InChI=1S/C5F8O3/c6-2(4(8,9)10)3(7,5(11,12)13)16-1(14)15-2/t2-,3?/m1/s1.
What are the key properties of (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
(4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 260.04 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 166813254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).