[4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol

C9H16FNO — CID 130657363

IUPAC[4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(C)CN1CC(F)CC1CO
InChIInChI=1S/C9H16FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h8-9,12H,1,3-6H2,2H3
InChIKeyRVDCJDJTJCZPNF-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.97
Rot. Bonds3

About [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol

[4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 130657363) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID130657363
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(C)CN1CC(F)CC1CO
InChIInChI=1S/C9H16FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h8-9,12H,1,3-6H2,2H3
InChIKeyRVDCJDJTJCZPNF-UHFFFAOYSA-N
XLogP0.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methanol
CID 77284419
(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
CID 126997673
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 127004508
[4-Fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 130709579
[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 130757224
[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
CID 148839745
((2S,4R)-4-Fluoro-1-isopropylpyrrolidin-2-yl)methanol
CID 154644053
[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
CID 155627114
[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163598880
[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163659245
[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 169177457
[(2R,4R)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 170763616

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol (CID 130657363) is [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol is C=C(C)CN1CC(F)CC1CO.
What is the InChIKey of [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is RVDCJDJTJCZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h8-9,12H,1,3-6H2,2H3.
What are the key properties of [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
[4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 130657363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).