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

C12H22FNO — CID 177009364

IUPAC(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCCN1CC/C(=C/F)[C@H]1[C@H](C)OC(C)C
InChIInChI=1S/C12H22FNO/c1-5-14-7-6-11(8-13)12(14)10(4)15-9(2)3/h8-10,12H,5-7H2,1-4H3/b11-8-/t10-,12+/m0/s1
InChIKeyBTSVHMDNTQQBDK-ZCTNLYAYSA-N
MW215.31 g/mol
LogP2.75
Rot. Bonds4

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

(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 177009364) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID177009364
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCCN1CC/C(=C/F)[C@H]1[C@H](C)OC(C)C
InChIInChI=1S/C12H22FNO/c1-5-14-7-6-11(8-13)12(14)10(4)15-9(2)3/h8-10,12H,5-7H2,1-4H3/b11-8-/t10-,12+/m0/s1
InChIKeyBTSVHMDNTQQBDK-ZCTNLYAYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.75
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-(ethoxymethyl)-1-methylpyrrolidine
CID 172247237
3-(Difluoromethylidene)-2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 172247290
4-(Difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
CID 176568089
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
4-(Difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568224
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-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 177009364) is (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CCN1CC/C(=C/F)[C@H]1[C@H](C)OC(C)C.
What is the InChIKey of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is BTSVHMDNTQQBDK-ZCTNLYAYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-5-14-7-6-11(8-13)12(14)10(4)15-9(2)3/h8-10,12H,5-7H2,1-4H3/b11-8-/t10-,12+/m0/s1.
What are the key properties of (2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 215.31 g/mol, XLogP of 2.75, 4 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-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 177009364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).