ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine

C11H22F3N — CID 178013976

IUPACethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
SMILESCC.CC(C)N1CC(C(F)(F)F)CC1C
InChIInChI=1S/C9H16F3N.C2H6/c1-6(2)13-5-8(4-7(13)3)9(10,11)12;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyJBVAIUYKUYDQJG-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.69
Rot. Bonds1

About ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine

ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine (PubChem CID 178013976) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
PubChem CID178013976
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Nameethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
SMILESCC.CC(C)N1CC(C(F)(F)F)CC1C
InChIInChI=1S/C9H16F3N.C2H6/c1-6(2)13-5-8(4-7(13)3)9(10,11)12;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyJBVAIUYKUYDQJG-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723537
1,2,2-Trimethyl-4-(trifluoromethyl)pyrrolidine
CID 21025949
4,4-Difluoro-1,2,2-trimethylpyrrolidine
CID 21025962
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
3,3-Difluoro-5-methyl-1-propan-2-ylpiperidine
CID 44239161
(2R)-1-(fluoromethyl)-2-(2-methylpropyl)pyrrolidine
CID 57733761
1-(4,4-Dimethylpentyl)-3,3-difluoropyrrolidine
CID 57979610
3-(Difluoromethyl)-1-propan-2-ylpiperidine
CID 58029803
(3R)-3-(difluoromethyl)-1-propan-2-ylpiperidine
CID 58030241
1-Propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 58110267
4,4-Difluoro-3-methyl-1-propan-2-ylpiperidine
CID 58110397

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine (CID 178013976) is ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine is CC.CC(C)N1CC(C(F)(F)F)CC1C.
What is the InChIKey of ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is JBVAIUYKUYDQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N.C2H6/c1-6(2)13-5-8(4-7(13)3)9(10,11)12;1-2/h6-8H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 225.30 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 178013976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).