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

C12H23F2NO — CID 59611153

IUPAC(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1CC(COC(F)F)CN1C(C)C
InChIInChI=1S/C12H23F2NO/c1-8(2)11-5-10(7-16-12(13)14)6-15(11)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11-/m0/s1
InChIKeyNVAKRDBBSIPELU-DTIOYNMSSA-N
MW235.32 g/mol
LogP2.98
Rot. Bonds5

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

(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59611153) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59611153
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1CC(COC(F)F)CN1C(C)C
InChIInChI=1S/C12H23F2NO/c1-8(2)11-5-10(7-16-12(13)14)6-15(11)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11-/m0/s1
InChIKeyNVAKRDBBSIPELU-DTIOYNMSSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine (CID 59611153) is (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1CC(COC(F)F)CN1C(C)C.
What is the InChIKey of (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is NVAKRDBBSIPELU-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-8(2)11-5-10(7-16-12(13)14)6-15(11)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 235.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59611153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).