ethane;1-methyl-3-(trifluoromethyl)pyrrolidine

C10H22F3N — CID 177172924

IUPACethane;1-methyl-3-(trifluoromethyl)pyrrolidine
SMILESCC.CC.CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N.2C2H6/c1-10-3-2-5(4-10)6(7,8)9;2*1-2/h5H,2-4H2,1H3;2*1-2H3
InChIKeyFOXJTYMITMIMRD-UHFFFAOYSA-N
MW213.29 g/mol
LogP3.55
Rot. Bonds

About ethane;1-methyl-3-(trifluoromethyl)pyrrolidine

ethane;1-methyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 177172924) has the molecular formula C10H22F3N and a molecular weight of 213.29 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethyl)pyrrolidine
PubChem CID177172924
Molecular FormulaC10H22F3N
Molecular Weight213.29 g/mol
Exact Mass213.17
IUPAC Nameethane;1-methyl-3-(trifluoromethyl)pyrrolidine
SMILESCC.CC.CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N.2C2H6/c1-10-3-2-5(4-10)6(7,8)9;2*1-2/h5H,2-4H2,1H3;2*1-2H3
InChIKeyFOXJTYMITMIMRD-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1-pyrrolidinobutane
CID 12869920
2,2-Difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
1-(1,1-Difluoro-2,2-dimethylpropyl)pyrrolidine
CID 101453500
N-(2'-Methylbutyl)pyrrolidine
CID 15180078
fluoro-N-propyl-3,4-dimethylpyrrolidine
CID 129762197
3-Fluoro-1-(2-methylpropyl)pyrrolidine
CID 20672260
N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811852
2,2,3,4,5,5-Hexafluoro-3,4-dimethyl-1-propylpyrrolidine
CID 22253783
3-(Fluoromethyl)-1-methylpyrrolidine
CID 22903693
1-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-1-ium iodide
CID 44229486
1-Tert-butyl-3,3-difluoropyrrolidine
CID 57559179
3-Ethyl-1-(2-fluoroethyl)pyrrolidine
CID 57639817

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of ethane;1-methyl-3-(trifluoromethyl)pyrrolidine (CID 177172924) is ethane;1-methyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethyl)pyrrolidine is CC.CC.CN1CCC(C(F)(F)F)C1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is FOXJTYMITMIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.2C2H6/c1-10-3-2-5(4-10)6(7,8)9;2*1-2/h5H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethyl)pyrrolidine?
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 213.29 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 177172924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).