3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine

C9H16F3NO — CID 84734550

IUPAC3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine
SMILESCOC(CCC1CCNC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)3-2-7-4-5-13-6-7/h7-8,13H,2-6H2,1H3
InChIKeyCBRHLIPKFVCIOF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds4

About 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine

3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine (PubChem CID 84734550) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine.

Molecular Properties

Compound Name3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine
PubChem CID84734550
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine
SMILESCOC(CCC1CCNC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)3-2-7-4-5-13-6-7/h7-8,13H,2-6H2,1H3
InChIKeyCBRHLIPKFVCIOF-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137
2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62514154
N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528148
4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62528716
N,2-dipropyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528728
N-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528926
N,2-diethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62529363
2-ethyl-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530947
4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62531116

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine?
The IUPAC name of 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine (CID 84734550) is 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine.
What is the SMILES notation for 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine?
The canonical SMILES for 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine is COC(CCC1CCNC1)C(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine?
The InChIKey is CBRHLIPKFVCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)3-2-7-4-5-13-6-7/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine?
3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluoro-3-methoxybutyl)pyrrolidine is sourced from PubChem (CID 84734550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).