(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine

C8H14FNO — CID 167294897

IUPAC(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
SMILESC=C(OC)[C@@H]1C[C@H](F)CN1C
InChIInChI=1S/C8H14FNO/c1-6(11-3)8-4-7(9)5-10(8)2/h7-8H,1,4-5H2,2-3H3/t7-,8-/m0/s1
InChIKeyQLCYZGFIQIEHPI-YUMQZZPRSA-N
MW159.20 g/mol
LogP1.19
Rot. Bonds2

About (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine

(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine (PubChem CID 167294897) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
PubChem CID167294897
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
SMILESC=C(OC)[C@@H]1C[C@H](F)CN1C
InChIInChI=1S/C8H14FNO/c1-6(11-3)8-4-7(9)5-10(8)2/h7-8H,1,4-5H2,2-3H3/t7-,8-/m0/s1
InChIKeyQLCYZGFIQIEHPI-YUMQZZPRSA-N
XLogP1.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.19
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

(2S)-4,4-difluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
CID 156243404
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S,4R)-2-(1-methoxyethenyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
CID 167294894
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 176664030
4,4-Difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 176926643
(3Z)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 177009166
(3Z)-1-ethyl-3-(fluoromethylidene)-2-(1-methoxyethyl)pyrrolidine
CID 177009224
(2S,3E)-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177009261
(2S,3E)-3-(fluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009290
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009364

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine?
The IUPAC name of (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine (CID 167294897) is (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine?
The canonical SMILES for (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine is C=C(OC)[C@@H]1C[C@H](F)CN1C.
What is the InChIKey of (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine?
The InChIKey is QLCYZGFIQIEHPI-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(11-3)8-4-7(9)5-10(8)2/h7-8H,1,4-5H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine?
(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine has a molecular weight of 159.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine is sourced from PubChem (CID 167294897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).