(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine

C9H17F2N — CID 176755843

IUPAC(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](CC(F)F)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-4-3-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyZYTLZGMNIRLJMS-QMMMGPOBSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds3

About (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine

(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine (PubChem CID 176755843) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
PubChem CID176755843
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](CC(F)F)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-4-3-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyZYTLZGMNIRLJMS-QMMMGPOBSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723537
1,2,2-Trimethyl-4-(trifluoromethyl)pyrrolidine
CID 21025949
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
3-Ethyl-1-(2-fluoroethyl)pyrrolidine
CID 57639817
1-Propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 58110267
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine
CID 58222006
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613
3-Tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
CID 58530916
(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine
CID 58578233

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine (CID 176755843) is (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@@H](CC(F)F)C1.
What is the InChIKey of (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is ZYTLZGMNIRLJMS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12-4-3-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 176755843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).