2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine

C11H19F2N — CID 164649017

IUPAC2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine
SMILESCC(CC1(C)CC1(F)F)C1CCCN1
InChIInChI=1S/C11H19F2N/c1-8(9-4-3-5-14-9)6-10(2)7-11(10,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyMJTMBCVJXVSAHJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.81
Rot. Bonds3

About 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine

2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine (PubChem CID 164649017) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine
PubChem CID164649017
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine
SMILESCC(CC1(C)CC1(F)F)C1CCCN1
InChIInChI=1S/C11H19F2N/c1-8(9-4-3-5-14-9)6-10(2)7-11(10,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyMJTMBCVJXVSAHJ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
4-(2-pyrrolidin-2-ylpropyl)piperidine
CID 173240417
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
CID 174103186
ethane;2-propan-2-ylpiperidine
CID 154671868
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 124705776
(2S)-2-(dimethoxymethyl)pyrrolidine
CID 11658393
2-pyrrolidin-2-ylpropylurea
CID 70245040
2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine
CID 107443610
2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine
CID 106640244

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine?
The IUPAC name of 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine (CID 164649017) is 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine?
The canonical SMILES for 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine is CC(CC1(C)CC1(F)F)C1CCCN1.
What is the InChIKey of 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine?
The InChIKey is MJTMBCVJXVSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(9-4-3-5-14-9)6-10(2)7-11(10,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine?
2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 164649017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).