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

C7H12FNO — CID 171397551

IUPAC[(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C/C(=C\F)C[C@H]1CO
InChIInChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/b6-3-/t7-/m0/s1
InChIKeyHHGCLHMTXDWHIF-NFNQMPKISA-N
MW145.18 g/mol
LogP0.54
Rot. Bonds1

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

[(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 171397551) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
PubChem CID171397551
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name[(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C/C(=C\F)C[C@H]1CO
InChIInChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/b6-3-/t7-/m0/s1
InChIKeyHHGCLHMTXDWHIF-NFNQMPKISA-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 [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (CID 171397551) is [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is CN1C/C(=C\F)C[C@H]1CO.
What is the InChIKey of [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is HHGCLHMTXDWHIF-NFNQMPKISA-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-/t7-/m0/s1.
What are the key properties of [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?
[(2S,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 [(2S,4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 171397551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).