3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine

C8H13F2N — CID 126845218

IUPAC3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
SMILESCC1C(C2CCNC2)C1(F)F
InChIInChI=1S/C8H13F2N/c1-5-7(8(5,9)10)6-2-3-11-4-6/h5-7,11H,2-4H2,1H3
InChIKeyRBGOVUBAXPXFOZ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.50
Rot. Bonds1

About 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine

3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine (PubChem CID 126845218) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
PubChem CID126845218
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
SMILESCC1C(C2CCNC2)C1(F)F
InChIInChI=1S/C8H13F2N/c1-5-7(8(5,9)10)6-2-3-11-4-6/h5-7,11H,2-4H2,1H3
InChIKeyRBGOVUBAXPXFOZ-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine;hydrochloride
CID 126845475
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
2-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845216
3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride
CID 126845296
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
4-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine
CID 126845300
6-(4-methylcyclohexyl)-1,4-diazocane
CID 138509045
(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 167133847
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009
ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 164599271
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine?
The IUPAC name of 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine (CID 126845218) is 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine.
What is the SMILES notation for 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine?
The canonical SMILES for 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine is CC1C(C2CCNC2)C1(F)F.
What is the InChIKey of 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine?
The InChIKey is RBGOVUBAXPXFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-5-7(8(5,9)10)6-2-3-11-4-6/h5-7,11H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine?
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine is sourced from PubChem (CID 126845218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).