3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine

C10H17F2NO — CID 126845118

IUPAC3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine
SMILESCC1(C)C(COC2CCNC2)C1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(2)8(10(9,11)12)6-14-7-3-4-13-5-7/h7-8,13H,3-6H2,1-2H3
InChIKeyTVUVQEDAJASPGJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.66
Rot. Bonds3

About 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine

3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine (PubChem CID 126845118) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine
PubChem CID126845118
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine
SMILESCC1(C)C(COC2CCNC2)C1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(2)8(10(9,11)12)6-14-7-3-4-13-5-7/h7-8,13H,3-6H2,1-2H3
InChIKeyTVUVQEDAJASPGJ-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706198
3-[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine hydrochloride
CID 126845117
2-{[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxy]methyl}pyrrolidine hydrochloride
CID 126845125
2-[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
CID 126845126
3-{[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxy]methyl}pyrrolidine hydrochloride
CID 126845127
3-[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
CID 126845128
3-[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
CID 126845137
2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine
CID 126845172
n-[(2,2-Difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine
CID 164659794
n-[(2,2-Difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
CID 164659795
2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxolan-3-amine
CID 82718429
2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)oxolan-3-amine
CID 82718430

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine?
The IUPAC name of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine (CID 126845118) is 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine is CC1(C)C(COC2CCNC2)C1(F)F.
What is the InChIKey of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine?
The InChIKey is TVUVQEDAJASPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(2)8(10(9,11)12)6-14-7-3-4-13-5-7/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine?
3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine has a molecular weight of 205.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine is sourced from PubChem (CID 126845118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).