3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine

C10H19F2NO — CID 137419192

IUPAC3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CN1CCC(OC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)7-13-5-4-8(6-13)14-9(11)12/h8-9H,4-7H2,1-3H3
InChIKeyBIQROLJOTVSNCQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.35
Rot. Bonds3

About 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine

3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 137419192) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine
PubChem CID137419192
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CN1CCC(OC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)7-13-5-4-8(6-13)14-9(11)12/h8-9H,4-7H2,1-3H3
InChIKeyBIQROLJOTVSNCQ-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-1-ethylpiperidine
CID 130226338
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
CID 165372771
4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol
CID 145131579
1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
CID 176693193
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
CID 115883361
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine (CID 137419192) is 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CN1CCC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is BIQROLJOTVSNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(2,3)7-13-5-4-8(6-13)14-9(11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine?
3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 137419192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).