(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine

C10H18FNO — CID 177009641

IUPAC(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1CC/C(=C/F)[C@H]1[C@H](C)OC
InChIInChI=1S/C10H18FNO/c1-4-12-6-5-9(7-11)10(12)8(2)13-3/h7-8,10H,4-6H2,1-3H3/b9-7-/t8-,10+/m0/s1
InChIKeyXWTAFUQWGSWUFP-AGGJFOMBSA-N
MW187.26 g/mol
LogP1.97
Rot. Bonds3

About (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine

(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine (PubChem CID 177009641) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine
PubChem CID177009641
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1CC/C(=C/F)[C@H]1[C@H](C)OC
InChIInChI=1S/C10H18FNO/c1-4-12-6-5-9(7-11)10(12)8(2)13-3/h7-8,10H,4-6H2,1-3H3/b9-7-/t8-,10+/m0/s1
InChIKeyXWTAFUQWGSWUFP-AGGJFOMBSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.97
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
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
CID 167294897
(4Z)-4-(1-fluoroethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247047
3-(Difluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247096
3-(Difluoromethylidene)-2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 172247290
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380414
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
4-(Difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568224
4-(Difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568485
2-(Butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine
CID 176568571
4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 176663743

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine?
The IUPAC name of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine (CID 177009641) is (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine.
What is the SMILES notation for (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine?
The canonical SMILES for (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine is CCN1CC/C(=C/F)[C@H]1[C@H](C)OC.
What is the InChIKey of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine?
The InChIKey is XWTAFUQWGSWUFP-AGGJFOMBSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-12-6-5-9(7-11)10(12)8(2)13-3/h7-8,10H,4-6H2,1-3H3/b9-7-/t8-,10+/m0/s1.
What are the key properties of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine?
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine has a molecular weight of 187.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine is sourced from PubChem (CID 177009641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).