2-(4,4,4-trifluorobutoxymethyl)pyrrolidine

C9H16F3NO — CID 115514545

IUPAC2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
SMILESFC(F)(F)CCCOCC1CCCN1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-14-7-8-3-1-5-13-8/h8,13H,1-7H2
InChIKeyUPDBMWMSHYANEE-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

About 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine

2-(4,4,4-trifluorobutoxymethyl)pyrrolidine (PubChem CID 115514545) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
PubChem CID115514545
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
SMILESFC(F)(F)CCCOCC1CCCN1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-14-7-8-3-1-5-13-8/h8,13H,1-7H2
InChIKeyUPDBMWMSHYANEE-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
2-(3,3-dimethylbutoxymethyl)pyrrolidine
CID 62335099
2-(2,2,2-trifluoroethoxymethyl)piperidine
CID 24702991
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
(2R)-2-[3-(2-methoxyethoxy)propoxymethyl]pyrrolidine
CID 103402661
6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
CID 116560929
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 59651686
(2R)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 102820123
2-(3,3-difluorobutoxymethyl)azetidine
CID 84656869
2-phenylmethoxy-5-[[(2S)-pyrrolidin-2-yl]methoxy]-2-(trifluoromethyl)pentanoic acid
CID 163376954
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine?
The IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine (CID 115514545) is 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine?
The canonical SMILES for 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine is FC(F)(F)CCCOCC1CCCN1.
What is the InChIKey of 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine?
The InChIKey is UPDBMWMSHYANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-14-7-8-3-1-5-13-8/h8,13H,1-7H2.
What are the key properties of 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine?
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutoxymethyl)pyrrolidine is sourced from PubChem (CID 115514545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).