2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate

C14H24F3NO2 — CID 63708179

IUPAC2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H24F3NO2/c1-3-5-6-11(4-2)9-20-12(19)13(14(15,16)17)7-8-18-10-13/h11,18H,3-10H2,1-2H3
InChIKeyLSFANSYGODSLIO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.29
Rot. Bonds7

About 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate

2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate (PubChem CID 63708179) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
PubChem CID63708179
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H24F3NO2/c1-3-5-6-11(4-2)9-20-12(19)13(14(15,16)17)7-8-18-10-13/h11,18H,3-10H2,1-2H3
InChIKeyLSFANSYGODSLIO-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63710529
2-ethylhexyl 3-propylpiperidine-3-carboxylate
CID 63540459
2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate
CID 23344602
2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
CID 106978103
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
2-ethylhexyl 2-methylbutanoate
CID 3023949
trans-bis(2-ethylhexyl) (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 175056802
2-ethylhexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 14598735
N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106116600
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
3-(2-ethylhexyl)pyrrolidin-3-ol
CID 63587547

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
The IUPAC name of 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate (CID 63708179) is 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate is CCCCC(CC)COC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
The InChIKey is LSFANSYGODSLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-3-5-6-11(4-2)9-20-12(19)13(14(15,16)17)7-8-18-10-13/h11,18H,3-10H2,1-2H3.
What are the key properties of 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 63708179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).