(3R)-3-(difluoromethyl)-1-ethylpyrrolidine

C7H13F2N — CID 130339062

IUPAC(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
SMILESCCN1CC[C@@H](C(F)F)C1
InChIInChI=1S/C7H13F2N/c1-2-10-4-3-6(5-10)7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyIVCVYWLLIJEOAI-ZCFIWIBFSA-N
MW149.18 g/mol
LogP1.59
Rot. Bonds2

About (3R)-3-(difluoromethyl)-1-ethylpyrrolidine

(3R)-3-(difluoromethyl)-1-ethylpyrrolidine (PubChem CID 130339062) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (3R)-3-(difluoromethyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
PubChem CID130339062
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
SMILESCCN1CC[C@@H](C(F)F)C1
InChIInChI=1S/C7H13F2N/c1-2-10-4-3-6(5-10)7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyIVCVYWLLIJEOAI-ZCFIWIBFSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-butyl-3-(difluoromethyl)pyrrolidine
CID 175738561
(1R)-1-(1-ethylpyrrolidin-3-yl)-N,N-dimethylethanamine
CID 163831391
1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
CID 121201139
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129493815
1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
CID 117237155
(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
CID 176559353
2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
CID 105443609
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 117237152
3-[[3-(difluoromethyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole
CID 175647993
2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237190
1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
CID 117237179

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethyl)-1-ethylpyrrolidine?
The IUPAC name of (3R)-3-(difluoromethyl)-1-ethylpyrrolidine (CID 130339062) is (3R)-3-(difluoromethyl)-1-ethylpyrrolidine.
What is the SMILES notation for (3R)-3-(difluoromethyl)-1-ethylpyrrolidine?
The canonical SMILES for (3R)-3-(difluoromethyl)-1-ethylpyrrolidine is CCN1CC[C@@H](C(F)F)C1.
What is the InChIKey of (3R)-3-(difluoromethyl)-1-ethylpyrrolidine?
The InChIKey is IVCVYWLLIJEOAI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F2N/c1-2-10-4-3-6(5-10)7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-(difluoromethyl)-1-ethylpyrrolidine?
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethyl)-1-ethylpyrrolidine is sourced from PubChem (CID 130339062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).