(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine

C6H10F3N — CID 96734114

IUPAC(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine
SMILESC[C@@H]1C[C@H](C(F)(F)F)CN1
InChIInChI=1S/C6H10F3N/c1-4-2-5(3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyIIVOUOGIEWBEEM-UHNVWZDZSA-N
MW153.15 g/mol
LogP1.55
Rot. Bonds

About (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine

(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine (PubChem CID 96734114) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine
PubChem CID96734114
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine
SMILESC[C@@H]1C[C@H](C(F)(F)F)CN1
InChIInChI=1S/C6H10F3N/c1-4-2-5(3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyIIVOUOGIEWBEEM-UHNVWZDZSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine (CID 96734114) is (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine is C[C@@H]1C[C@H](C(F)(F)F)CN1.
What is the InChIKey of (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is IIVOUOGIEWBEEM-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4-2-5(3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine?
(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 153.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 96734114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).