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

C7H12FNO — CID 163598880

IUPAC[(4E)-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-ZZXKWVIFSA-N
MW145.18 g/mol
LogP0.54
Rot. Bonds1

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

[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 163598880) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
PubChem CID163598880
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name[(4E)-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-ZZXKWVIFSA-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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Frequently Asked Questions

What is the IUPAC name of [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (CID 163598880) is [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is CN1C/C(=C/F)CC1CO.
What is the InChIKey of [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is HHGCLHMTXDWHIF-ZZXKWVIFSA-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 [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
[(4E)-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 [(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 163598880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).