[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol

C9H16FNO — CID 155002885

IUPAC[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol
SMILESC=C(C)[C@@]1(CO)C[C@@H](F)[C@H](C)N1
InChIInChI=1S/C9H16FNO/c1-6(2)9(5-12)4-8(10)7(3)11-9/h7-8,11-12H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1
InChIKeyWBNROZMCUQCPPJ-YIZRAAEISA-N
MW173.23 g/mol
LogP1.01
Rot. Bonds2

About [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol

[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol (PubChem CID 155002885) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol
PubChem CID155002885
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol
SMILESC=C(C)[C@@]1(CO)C[C@@H](F)[C@H](C)N1
InChIInChI=1S/C9H16FNO/c1-6(2)9(5-12)4-8(10)7(3)11-9/h7-8,11-12H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1
InChIKeyWBNROZMCUQCPPJ-YIZRAAEISA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol (CID 155002885) is [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol is C=C(C)[C@@]1(CO)C[C@@H](F)[C@H](C)N1.
What is the InChIKey of [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is WBNROZMCUQCPPJ-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16FNO/c1-6(2)9(5-12)4-8(10)7(3)11-9/h7-8,11-12H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1.
What are the key properties of [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol?
[(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5S)-4-fluoro-5-methyl-2-prop-1-en-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 155002885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).