(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine

C11H21F2NO — CID 59611228

IUPAC(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](OC(F)F)CN1C(C)C
InChIInChI=1S/C11H21F2NO/c1-7(2)10-5-9(15-11(12)13)6-14(10)8(3)4/h7-11H,5-6H2,1-4H3/t9-,10-/m0/s1
InChIKeyXUDUMDGNHACEMT-UWVGGRQHSA-N
MW221.29 g/mol
LogP2.73
Rot. Bonds4

About (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine

(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59611228) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59611228
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](OC(F)F)CN1C(C)C
InChIInChI=1S/C11H21F2NO/c1-7(2)10-5-9(15-11(12)13)6-14(10)8(3)4/h7-11H,5-6H2,1-4H3/t9-,10-/m0/s1
InChIKeyXUDUMDGNHACEMT-UWVGGRQHSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine (CID 59611228) is (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1C[C@H](OC(F)F)CN1C(C)C.
What is the InChIKey of (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is XUDUMDGNHACEMT-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-7(2)10-5-9(15-11(12)13)6-14(10)8(3)4/h7-11H,5-6H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine?
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59611228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).