(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine

C8H14F3N — CID 96744744

IUPAC(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
SMILESCC(C)[C@H]1C[C@H](C(F)(F)F)CN1
InChIInChI=1S/C8H14F3N/c1-5(2)7-3-6(4-12-7)8(9,10)11/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyPUTMZJIRFDDYKT-NKWVEPMBSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds1

About (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine

(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine (PubChem CID 96744744) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
PubChem CID96744744
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
SMILESCC(C)[C@H]1C[C@H](C(F)(F)F)CN1
InChIInChI=1S/C8H14F3N/c1-5(2)7-3-6(4-12-7)8(9,10)11/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyPUTMZJIRFDDYKT-NKWVEPMBSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-4-(trifluoromethyl)piperidine
CID 66330096
(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
CID 59459275
2-pentan-2-yl-4-(trifluoromethyl)piperidine
CID 107888090
2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
4-chloro-2-propan-2-ylpyrrolidine
CID 57194376
2-propan-2-yl-4-propan-2-yloxypyrrolidine
CID 102568611
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
2-methoxy-5-(trifluoromethyl)piperidine
CID 153178621
(3R,5S)-5-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96735721
2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
methyl (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylate;hydrochloride
CID 171397509

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine (CID 96744744) is (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine is CC(C)[C@H]1C[C@H](C(F)(F)F)CN1.
What is the InChIKey of (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is PUTMZJIRFDDYKT-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5(2)7-3-6(4-12-7)8(9,10)11/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 96744744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).