ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine

C12H26F3N — CID 178134893

IUPACethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine
SMILESCC.CC.CCN1CC(C(F)(F)F)CC1C
InChIInChI=1S/C8H14F3N.2C2H6/c1-3-12-5-7(4-6(12)2)8(9,10)11;2*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyDUTUJAHECIXQLV-UHFFFAOYSA-N
MW241.34 g/mol
LogP4.33
Rot. Bonds1

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

ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine (PubChem CID 178134893) has the molecular formula C12H26F3N and a molecular weight of 241.34 g/mol. Its IUPAC name is ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine
PubChem CID178134893
Molecular FormulaC12H26F3N
Molecular Weight241.34 g/mol
Exact Mass241.20
IUPAC Nameethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine
SMILESCC.CC.CCN1CC(C(F)(F)F)CC1C
InChIInChI=1S/C8H14F3N.2C2H6/c1-3-12-5-7(4-6(12)2)8(9,10)11;2*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyDUTUJAHECIXQLV-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine (CID 178134893) is ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine is CC.CC.CCN1CC(C(F)(F)F)CC1C.
What is the InChIKey of ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is DUTUJAHECIXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.2C2H6/c1-3-12-5-7(4-6(12)2)8(9,10)11;2*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 241.34 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 178134893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).