(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine

C11H20FNO — CID 177009853

IUPAC(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@]1(C)C/C(=C/F)CN1C
InChIInChI=1S/C11H20FNO/c1-9(2)14-8-11(3)5-10(6-12)7-13(11)4/h6,9H,5,7-8H2,1-4H3/b10-6-/t11-/m0/s1
InChIKeyVLBPPDCKNSWDJM-YAEJEKNGSA-N
MW201.28 g/mol
LogP2.36
Rot. Bonds3

About (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 177009853) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID177009853
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@]1(C)C/C(=C/F)CN1C
InChIInChI=1S/C11H20FNO/c1-9(2)14-8-11(3)5-10(6-12)7-13(11)4/h6,9H,5,7-8H2,1-4H3/b10-6-/t11-/m0/s1
InChIKeyVLBPPDCKNSWDJM-YAEJEKNGSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
7-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 163656567
(6E)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656569
2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656570
4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 164922069
(6Z)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164943231
(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166974406
6-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 166984317
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(6E,8S)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 168995699
(6Z,8S)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169181275
(6Z)-2-fluoro-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169560092

Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 177009853) is (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@]1(C)C/C(=C/F)CN1C.
What is the InChIKey of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is VLBPPDCKNSWDJM-YAEJEKNGSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9(2)14-8-11(3)5-10(6-12)7-13(11)4/h6,9H,5,7-8H2,1-4H3/b10-6-/t11-/m0/s1.
What are the key properties of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 201.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 177009853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).