(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine

C9H16F3N — CID 145423428

IUPAC(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine
SMILESCC[C@@H]1CCN(C(C)C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-3-8-4-5-13(6-8)7(2)9(10,11)12/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyOTDJVKHIQYKZKN-BRFYHDHCSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds2

About (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine

(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine (PubChem CID 145423428) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine
PubChem CID145423428
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine
SMILESCC[C@@H]1CCN(C(C)C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-3-8-4-5-13(6-8)7(2)9(10,11)12/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyOTDJVKHIQYKZKN-BRFYHDHCSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.67
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 (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine?
The IUPAC name of (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine (CID 145423428) is (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine?
The canonical SMILES for (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine is CC[C@@H]1CCN(C(C)C(F)(F)F)C1.
What is the InChIKey of (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine?
The InChIKey is OTDJVKHIQYKZKN-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-8-4-5-13(6-8)7(2)9(10,11)12/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine?
(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine is sourced from PubChem (CID 145423428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).