(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine

C10H18FN — CID 176919410

IUPAC(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
SMILESCCC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C10H18FN/c1-2-10(4-5-10)8-12-6-3-9(11)7-12/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyNNOXIKFMEIPMLL-SECBINFHSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds3

About (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine

(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine (PubChem CID 176919410) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
PubChem CID176919410
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
SMILESCCC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C10H18FN/c1-2-10(4-5-10)8-12-6-3-9(11)7-12/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyNNOXIKFMEIPMLL-SECBINFHSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methanol
CID 155348589
(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 176776271
[1-[[(3S)-3-fluoropiperidin-1-yl]methyl]cyclopropyl]methanol
CID 171792654
2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 63129487
2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934958
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55224749
7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656732
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
1-[(4-ethylpiperidin-4-yl)methyl]-4-methoxypiperidine
CID 55177605
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine (CID 176919410) is (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine is CCC1(CN2CC[C@@H](F)C2)CC1.
What is the InChIKey of (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine?
The InChIKey is NNOXIKFMEIPMLL-SECBINFHSA-N. The full InChI is InChI=1S/C10H18FN/c1-2-10(4-5-10)8-12-6-3-9(11)7-12/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine?
(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine is sourced from PubChem (CID 176919410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).