(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine

C10H19F2N — CID 118444582

IUPAC(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)[C@@]1(C)CCN(CC(F)F)C1
InChIInChI=1S/C10H19F2N/c1-8(2)10(3)4-5-13(7-10)6-9(11)12/h8-9H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyWMDVWXUZNZPLEA-JTQLQIEISA-N
MW191.26 g/mol
LogP2.62
Rot. Bonds3

About (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine

(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine (PubChem CID 118444582) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine
PubChem CID118444582
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)[C@@]1(C)CCN(CC(F)F)C1
InChIInChI=1S/C10H19F2N/c1-8(2)10(3)4-5-13(7-10)6-9(11)12/h8-9H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyWMDVWXUZNZPLEA-JTQLQIEISA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723537
4,4-Di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 21069095
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
1-(4,4-Dimethylpentyl)-3,3-difluoropyrrolidine
CID 57979610
4-Tert-butyl-1-(2,2-difluoroethyl)piperidine
CID 58394448
4-Tert-butyl-1-(3,3,3-trifluoropropyl)piperidine
CID 58394621
4-Tert-butyl-1-ethyl-3,3-difluoropiperidine
CID 58394801
4-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 58395562
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58473066
3-Tert-butyl-4-fluoro-1-methylpyrrolidine
CID 58530504
3-Tert-butyl-1-ethyl-4-fluoropyrrolidine
CID 58530553

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine (CID 118444582) is (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine is CC(C)[C@@]1(C)CCN(CC(F)F)C1.
What is the InChIKey of (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is WMDVWXUZNZPLEA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)10(3)4-5-13(7-10)6-9(11)12/h8-9H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine?
(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 118444582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).