(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine

C13H24FN — CID 176776271

IUPAC(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine
SMILESCC(C)(C)CC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C13H24FN/c1-12(2,3)9-13(5-6-13)10-15-7-4-11(14)8-15/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyVSIIDAKNEHBBNL-LLVKDONJSA-N
MW213.34 g/mol
LogP3.25
Rot. Bonds3

About (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine

(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine (PubChem CID 176776271) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine
PubChem CID176776271
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine
SMILESCC(C)(C)CC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C13H24FN/c1-12(2,3)9-13(5-6-13)10-15-7-4-11(14)8-15/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyVSIIDAKNEHBBNL-LLVKDONJSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
CID 176919410
[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methanol
CID 155348589
[1-[[(3S)-3-fluoropiperidin-1-yl]methyl]cyclopropyl]methanol
CID 171792654
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
2-[1-[(4-tert-butylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498092
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170369368
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine (CID 176776271) is (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine is CC(C)(C)CC1(CN2CC[C@@H](F)C2)CC1.
What is the InChIKey of (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
The InChIKey is VSIIDAKNEHBBNL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24FN/c1-12(2,3)9-13(5-6-13)10-15-7-4-11(14)8-15/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine has a molecular weight of 213.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine is sourced from PubChem (CID 176776271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).