2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane

C14F28O — CID 139811181

IUPAC2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C14F28O/c15-1(12(34,35)36,3(18,19)5(22,23)7(26,27)9(30,31)13(37,38)39)2(16,17)4(20,21)6(24,25)8(28,29)10(32)11(33,43-10)14(40,41)42
InChIKeyPCVLMYBMMINZBK-UHFFFAOYSA-N
MW716.10 g/mol
LogP8.83
Rot. Bonds9

About 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane

2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane (PubChem CID 139811181) has the molecular formula C14F28O and a molecular weight of 716.10 g/mol. Its IUPAC name is 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane
PubChem CID139811181
Molecular FormulaC14F28O
Molecular Weight716.10 g/mol
Exact Mass715.95
IUPAC Name2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C14F28O/c15-1(12(34,35)36,3(18,19)5(22,23)7(26,27)9(30,31)13(37,38)39)2(16,17)4(20,21)6(24,25)8(28,29)10(32)11(33,43-10)14(40,41)42
InChIKeyPCVLMYBMMINZBK-UHFFFAOYSA-N
XLogP8.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.10
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane?
The IUPAC name of 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane (CID 139811181) is 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane?
The InChIKey is PCVLMYBMMINZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F28O/c15-1(12(34,35)36,3(18,19)5(22,23)7(26,27)9(30,31)13(37,38)39)2(16,17)4(20,21)6(24,25)8(28,29)10(32)11(33,43-10)14(40,41)42.
What are the key properties of 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane?
2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane has a molecular weight of 716.10 g/mol, XLogP of 8.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 139811181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).