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

C11H19F2NO — CID 126845126

IUPAC2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
SMILESCC1(C)C(COCC2CCCN2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-6-8-4-3-5-14-8/h8-9,14H,3-7H2,1-2H3
InChIKeyYTMUKGHBZFBKFJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.05
Rot. Bonds4

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

2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine (PubChem CID 126845126) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
PubChem CID126845126
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
SMILESCC1(C)C(COCC2CCCN2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-6-8-4-3-5-14-8/h8-9,14H,3-7H2,1-2H3
InChIKeyYTMUKGHBZFBKFJ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine
CID 163625319
2-(Difluoromethyl)-2-(ethoxymethyl)pyrrolidine
CID 172329285
N-[2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 62724547
2,2,3,3-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
CID 79357884
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 79358240
1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215425
1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215431
N-[(2,2-dimethylcyclopropyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 105754840
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706198
2-cyclopropyl-2-methyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113867462
N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine
CID 115976194
3-[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxy]pyrrolidine hydrochloride
CID 126845117

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine (CID 126845126) is 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine is CC1(C)C(COCC2CCCN2)C1(F)F.
What is the InChIKey of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
The InChIKey is YTMUKGHBZFBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-6-8-4-3-5-14-8/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine has a molecular weight of 219.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 126845126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).