1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine

C8H14F3N — CID 21025949

IUPAC1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine
SMILESCN1CC(C(F)(F)F)CC1(C)C
InChIInChI=1S/C8H14F3N/c1-7(2)4-6(5-12(7)3)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyVHYLHQBXVZGBSM-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.28
Rot. Bonds

About 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine

1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine (PubChem CID 21025949) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine
PubChem CID21025949
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine
SMILESCN1CC(C(F)(F)F)CC1(C)C
InChIInChI=1S/C8H14F3N/c1-7(2)4-6(5-12(7)3)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyVHYLHQBXVZGBSM-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-Difluoro-1,2,2-trimethylpyrrolidine
CID 21025962
4-Fluoro-1,2,2-trimethylpyrrolidine
CID 21025965
1-Tert-butyl-3,3-difluoropyrrolidine
CID 57559179
1,2-Ditert-butyl-4,4-difluoropyrrolidine
CID 58185622
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
(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
4,4-Difluoro-1,2-di(propan-2-yl)pyrrolidine
CID 58779071
(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine
CID 58850020
1-Methyl-3-(3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidine
CID 58944774
3-(1,1-Difluoropropan-2-yl)-1-methylpyrrolidine
CID 58944778

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine (CID 21025949) is 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine is CN1CC(C(F)(F)F)CC1(C)C.
What is the InChIKey of 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is VHYLHQBXVZGBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(2)4-6(5-12(7)3)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine?
1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 21025949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).