(2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine

C10H18F3N — CID 170931743

IUPAC(2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine
SMILESC[C@H]1C[C@H](C(F)(F)F)CN1C(C)(C)C
InChIInChI=1S/C10H18F3N/c1-7-5-8(10(11,12)13)6-14(7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyKABFYDHWIXEFSH-YUMQZZPRSA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds

About (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine

(2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine (PubChem CID 170931743) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine
PubChem CID170931743
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine
SMILESC[C@H]1C[C@H](C(F)(F)F)CN1C(C)(C)C
InChIInChI=1S/C10H18F3N/c1-7-5-8(10(11,12)13)6-14(7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyKABFYDHWIXEFSH-YUMQZZPRSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine (CID 170931743) is (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine is C[C@H]1C[C@H](C(F)(F)F)CN1C(C)(C)C.
What is the InChIKey of (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is KABFYDHWIXEFSH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7-5-8(10(11,12)13)6-14(7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine?
(2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 170931743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).