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

C8H14FNO — CID 176568175

IUPAC(4E)-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-QPJJXVBHSA-N
MW159.20 g/mol
LogP1.19
Rot. Bonds2

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

(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 176568175) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID176568175
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(4E)-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-QPJJXVBHSA-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

(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176663957
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568485
2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 58782033
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
5-(methoxymethyl)-N,1-dimethylpyrrolidin-3-amine
CID 20705157
2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
6-(methoxymethyl)-1-methylpiperidine-2-thione
CID 45118493
(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine
CID 174066669
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 121204099
(2S,3aS,7aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59055350
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine (CID 176568175) is (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine is COCC1C/C(=C\F)CN1C.
What is the InChIKey of (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is HCWAHNLAHSSLHT-QPJJXVBHSA-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 (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
(4E)-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 (4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176568175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).