(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine

C10H17F2NO — CID 163867787

IUPAC(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine
SMILESC/C=C(/C)OC[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C10H17F2NO/c1-4-8(2)14-6-9-5-10(11,12)7-13(9)3/h4,9H,5-7H2,1-3H3/b8-4-/t9-/m0/s1
InChIKeyPIDRPRWSLQRDLM-OTOXVQDCSA-N
MW205.25 g/mol
LogP2.27
Rot. Bonds3

About (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine

(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine (PubChem CID 163867787) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine
PubChem CID163867787
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine
SMILESC/C=C(/C)OC[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C10H17F2NO/c1-4-8(2)14-6-9-5-10(11,12)7-13(9)3/h4,9H,5-7H2,1-3H3/b8-4-/t9-/m0/s1
InChIKeyPIDRPRWSLQRDLM-OTOXVQDCSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 176926643
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
CID 147822137
(2S)-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 149226256
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)
CID 158197892
(2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
CID 158548625
Cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 163270622
1-Methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 163270623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine (CID 163867787) is (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine is C/C=C(/C)OC[C@@H]1CC(F)(F)CN1C.
What is the InChIKey of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine?
The InChIKey is PIDRPRWSLQRDLM-OTOXVQDCSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-4-8(2)14-6-9-5-10(11,12)7-13(9)3/h4,9H,5-7H2,1-3H3/b8-4-/t9-/m0/s1.
What are the key properties of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine?
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine has a molecular weight of 205.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 163867787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).