3-(3-fluoro-3-methylbutoxy)pyrrolidine

C9H18FNO — CID 84655342

IUPAC3-(3-fluoro-3-methylbutoxy)pyrrolidine
SMILESCC(C)(F)CCOC1CCNC1
InChIInChI=1S/C9H18FNO/c1-9(2,10)4-6-12-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyFFFFPXWOGNQRBM-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 3-(3-fluoro-3-methylbutoxy)pyrrolidine

3-(3-fluoro-3-methylbutoxy)pyrrolidine (PubChem CID 84655342) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylbutoxy)pyrrolidine.

Molecular Properties

Compound Name3-(3-fluoro-3-methylbutoxy)pyrrolidine
PubChem CID84655342
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(3-fluoro-3-methylbutoxy)pyrrolidine
SMILESCC(C)(F)CCOC1CCNC1
InChIInChI=1S/C9H18FNO/c1-9(2,10)4-6-12-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyFFFFPXWOGNQRBM-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
(3S)-3-ethoxypyrrolidine
CID 11116030
(3S)-3-(tert-butoxy)pyrrolidine hydrochloride
CID 68546414
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
3-(2-Fluoroethoxy)pyrrolidine
CID 53409223
3-(2-Methylpropoxy)pyrrolidine hydrochloride
CID 71756041
rac-(3R,4R)-3-fluoro-4-methoxypyrrolidine hydrochloride
CID 119053418
(3R)-3-(3-methylbutoxy)pyrrolidine hydrochloride
CID 134690945
4-Ethoxy-3,3-dimethylpyrrolidine hydrochloride
CID 177800563
CID 20745984
CID 20745984
cis-3-Fluoro-4-methoxy-pyrrolidine
CID 22603647

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylbutoxy)pyrrolidine?
The IUPAC name of 3-(3-fluoro-3-methylbutoxy)pyrrolidine (CID 84655342) is 3-(3-fluoro-3-methylbutoxy)pyrrolidine.
What is the SMILES notation for 3-(3-fluoro-3-methylbutoxy)pyrrolidine?
The canonical SMILES for 3-(3-fluoro-3-methylbutoxy)pyrrolidine is CC(C)(F)CCOC1CCNC1.
What is the InChIKey of 3-(3-fluoro-3-methylbutoxy)pyrrolidine?
The InChIKey is FFFFPXWOGNQRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,10)4-6-12-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(3-fluoro-3-methylbutoxy)pyrrolidine?
3-(3-fluoro-3-methylbutoxy)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylbutoxy)pyrrolidine is sourced from PubChem (CID 84655342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).