(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine

C10H19F2NO — CID 146933740

IUPAC(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CC(COC(F)F)CN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)9-4-8(5-13(9)3)6-14-10(11)12/h7-10H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyAFNBHPKLDVTBDN-GKAPJAKFSA-N
MW207.26 g/mol
LogP2.20
Rot. Bonds4

About (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine

(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 146933740) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID146933740
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CC(COC(F)F)CN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)9-4-8(5-13(9)3)6-14-10(11)12/h7-10H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyAFNBHPKLDVTBDN-GKAPJAKFSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.20
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-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine (CID 146933740) is (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine is CC(C)[C@@H]1CC(COC(F)F)CN1C.
What is the InChIKey of (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is AFNBHPKLDVTBDN-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-4-8(5-13(9)3)6-14-10(11)12/h7-10H,4-6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine?
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 146933740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).