3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine

C9H16F3N — CID 83685670

IUPAC3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)CC1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N/c1-7(2)5-8(9(10,11)12)3-4-13-6-8/h7,13H,3-6H2,1-2H3
InChIKeyUDAPKSJZAGWDFW-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.57
Rot. Bonds2

About 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine

3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 83685670) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID83685670
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)CC1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N/c1-7(2)5-8(9(10,11)12)3-4-13-6-8/h7,13H,3-6H2,1-2H3
InChIKeyUDAPKSJZAGWDFW-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-3-propylpyrrolidine
CID 22393542
3-(2-Methylpropyl)pyrrolidine
CID 22975332
3-(3,3-Dimethylbutyl)pyrrolidine
CID 59148051
6,6-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451191
7,7-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451192
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
3-Methyl-3-propylpyrrolidine hydrochloride
CID 167717503
3-Methyl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 133188472
3-Tert-butylpyrrolidine
CID 23560870
(3R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473034
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473063

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine (CID 83685670) is 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine is CC(C)CC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is UDAPKSJZAGWDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(2)5-8(9(10,11)12)3-4-13-6-8/h7,13H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine?
3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 83685670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).