[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol

C7H12FNO — CID 163659245

IUPAC[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C/C(=C\F)CC1CO
InChIInChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/b6-3-
InChIKeyHHGCLHMTXDWHIF-UTCJRWHESA-N
MW145.18 g/mol
LogP0.54
Rot. Bonds1

About [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol

[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 163659245) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
PubChem CID163659245
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C/C(=C\F)CC1CO
InChIInChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/b6-3-
InChIKeyHHGCLHMTXDWHIF-UTCJRWHESA-N
XLogP0.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163598880
[3-(Difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 172247289
[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 172577713
[4-(Difluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 176294879
[(2S)-4-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 176323839
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
CID 176919665
(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol
CID 177009395
1-[3-(Difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol
CID 177054088
[(2S,4Z)-2-ethyl-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 178816229
[4-Fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
CID 130657363
(S,Z)-(4-(Fluoromethylene)-1-methylpyrrolidin-2-YL)methanol
CID 171397551

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (CID 163659245) is [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is CN1C/C(=C\F)CC1CO.
What is the InChIKey of [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is HHGCLHMTXDWHIF-UTCJRWHESA-N. The full InChI is InChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/b6-3-.
What are the key properties of [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 145.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 163659245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).