1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine

C9H17F3N2 — CID 138545373

IUPAC1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine
SMILESCC(C)[C@@H](C)N1NCCC1C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-6(2)7(3)14-8(4-5-13-14)9(10,11)12/h6-8,13H,4-5H2,1-3H3/t7-,8?/m1/s1
InChIKeyDWDQLSJKNCAGMZ-GVHYBUMESA-N
MW210.24 g/mol
LogP2.17
Rot. Bonds2

About 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine

1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine (PubChem CID 138545373) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine
PubChem CID138545373
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine
SMILESCC(C)[C@@H](C)N1NCCC1C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-6(2)7(3)14-8(4-5-13-14)9(10,11)12/h6-8,13H,4-5H2,1-3H3/t7-,8?/m1/s1
InChIKeyDWDQLSJKNCAGMZ-GVHYBUMESA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(trifluoromethyl)pyrrolidin-1-amine
CID 57581186
1-(2,2-Difluoroethyl)-3-propan-2-ylpyrazolidine
CID 58029930
4-(3,3-Difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
CID 67811725
1-(Difluoromethyl)-3-methylpyrazolidine
CID 89130017
3-Methyl-1-(2,2,2-trifluoroethyl)pyrazolidine
CID 89130040
5-Methyl-1-(2,2,2-trifluoroethyl)pyrazolidine
CID 89687908
1,4-Dimethyl-3-(trifluoromethyl)pyrazolidine
CID 89687947
1-(2,2-Difluoroethyl)-3-methylpyrazolidine
CID 89995872
1-(2,2-Difluoroethyl)-3,5-dimethylpyrazolidine
CID 89996119
1-Methyl-3-(trifluoromethyl)pyrazolidine
CID 91042165
[1-(1,1,1-Trifluoro-3-methylbutan-2-yl)pyrrolidin-3-yl]methanamine
CID 117706289
1-(2,2-Difluoroethyl)-4-methylpyrazolidine
CID 121265443

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine (CID 138545373) is 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine is CC(C)[C@@H](C)N1NCCC1C(F)(F)F.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine?
The InChIKey is DWDQLSJKNCAGMZ-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17F3N2/c1-6(2)7(3)14-8(4-5-13-14)9(10,11)12/h6-8,13H,4-5H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine?
1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine has a molecular weight of 210.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 138545373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).