1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium

C20H23F7N3O2SU- — CID 178057379

IUPAC1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium
SMILESCC1(C(F)(F)F)CCN(c2ccc(F)c(F)c2OC(F)F)C1.CO.CSc1cc([NH-])ccn1.[U]
InChIInChI=1S/C13H12F7NO.C6H7N2S.CH4O.U/c1-12(13(18,19)20)4-5-21(6-12)8-3-2-7(14)9(15)10(8)22-11(16)17;1-9-6-4-5(7)2-3-8-6;1-2;/h2-3,11H,4-6H2,1H3;2-4H,1H3,(H-,7,8);2H,1H3;/q;-1;;
InChIKeyOVOWNLNICOWPAZ-UHFFFAOYSA-N
MW740.50 g/mol
LogP6.44
Rot. Bonds4

About 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium

1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium (PubChem CID 178057379) has the molecular formula C20H23F7N3O2SU- and a molecular weight of 740.50 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium
PubChem CID178057379
Molecular FormulaC20H23F7N3O2SU-
Molecular Weight740.50 g/mol
Exact Mass740.19
IUPAC Name1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium
SMILESCC1(C(F)(F)F)CCN(c2ccc(F)c(F)c2OC(F)F)C1.CO.CSc1cc([NH-])ccn1.[U]
InChIInChI=1S/C13H12F7NO.C6H7N2S.CH4O.U/c1-12(13(18,19)20)4-5-21(6-12)8-3-2-7(14)9(15)10(8)22-11(16)17;1-9-6-4-5(7)2-3-8-6;1-2;/h2-3,11H,4-6H2,1H3;2-4H,1H3,(H-,7,8);2H,1H3;/q;-1;;
InChIKeyOVOWNLNICOWPAZ-UHFFFAOYSA-N
XLogP6.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.50
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium?
The IUPAC name of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium (CID 178057379) is 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium?
The canonical SMILES for 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium is CC1(C(F)(F)F)CCN(c2ccc(F)c(F)c2OC(F)F)C1.CO.CSc1cc([NH-])ccn1.[U].
What is the InChIKey of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium?
The InChIKey is OVOWNLNICOWPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F7NO.C6H7N2S.CH4O.U/c1-12(13(18,19)20)4-5-21(6-12)8-3-2-7(14)9(15)10(8)22-11(16)17;1-9-6-4-5(7)2-3-8-6;1-2;/h2-3,11H,4-6H2,1H3;2-4H,1H3,(H-,7,8);2H,1H3;/q;-1;;.
What are the key properties of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium?
1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium has a molecular weight of 740.50 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3-methyl-3-(trifluoromethyl)pyrrolidine;methanol;(2-methylsulfanyl-4-pyridinyl)azanide;uranium is sourced from PubChem (CID 178057379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).