(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine

C8H14FNO — CID 176663957

IUPAC(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1C/C(=C/F)CN1C
InChIInChI=1S/C8H14FNO/c1-10-5-7(4-9)3-8(10)6-11-2/h4,8H,3,5-6H2,1-2H3/b7-4-
InChIKeyHCWAHNLAHSSLHT-DAXSKMNVSA-N
MW159.20 g/mol
LogP1.19
Rot. Bonds2

About (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine

(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 176663957) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID176663957
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1C/C(=C/F)CN1C
InChIInChI=1S/C8H14FNO/c1-10-5-7(4-9)3-8(10)6-11-2/h4,8H,3,5-6H2,1-2H3/b7-4-
InChIKeyHCWAHNLAHSSLHT-DAXSKMNVSA-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

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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
[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163598880
[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163659245
1-[[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methoxy]ethanethiol
CID 166984372
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S,4R)-2-(1-methoxyethenyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
CID 167294894
(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
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380414

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine (CID 176663957) is (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine is COCC1C/C(=C/F)CN1C.
What is the InChIKey of (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is HCWAHNLAHSSLHT-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-5-7(4-9)3-8(10)6-11-2/h4,8H,3,5-6H2,1-2H3/b7-4-.
What are the key properties of (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-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 (4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176663957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).