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

C11H20FNO — CID 177009808

IUPAC(2S,4E)-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-RUYJGKKWSA-N
MW201.28 g/mol
LogP2.36
Rot. Bonds3

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

(2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 177009808) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID177009808
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(2S,4E)-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-RUYJGKKWSA-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

(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170771550
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
3,4-dimethyl-3-(propan-2-yloxymethyl)morpholine
CID 177126276
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 176921046
1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163889613
(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine;6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922209
1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 172528840
[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 169202555
4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568410
3,4-dimethyl-3-(2-propan-2-yloxyethyl)morpholine
CID 177126087
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751

Frequently Asked Questions

What is the IUPAC name of (2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 177009808) is (2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S,4E)-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,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is VLBPPDCKNSWDJM-RUYJGKKWSA-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,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S,4E)-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,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 177009808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).