[4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol

C14H26F2N2O2 — CID 166984362

IUPAC[4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CC(F)(COCC2(C)CC(F)CN2C)CC1CO
InChIInChI=1S/C14H26F2N2O2/c1-13(4-11(15)6-18(13)3)9-20-10-14(16)5-12(7-19)17(2)8-14/h11-12,19H,4-10H2,1-3H3
InChIKeyHLGGTNSODWEFSO-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.84
Rot. Bonds5

About [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol

[4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol (PubChem CID 166984362) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol
PubChem CID166984362
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Name[4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CC(F)(COCC2(C)CC(F)CN2C)CC1CO
InChIInChI=1S/C14H26F2N2O2/c1-13(4-11(15)6-18(13)3)9-20-10-14(16)5-12(7-19)17(2)8-14/h11-12,19H,4-10H2,1-3H3
InChIKeyHLGGTNSODWEFSO-UHFFFAOYSA-N
XLogP0.84
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol (CID 166984362) is [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol is CN1CC(F)(COCC2(C)CC(F)CN2C)CC1CO.
What is the InChIKey of [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is HLGGTNSODWEFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-13(4-11(15)6-18(13)3)9-20-10-14(16)5-12(7-19)17(2)8-14/h11-12,19H,4-10H2,1-3H3.
What are the key properties of [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol?
[4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 292.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methoxymethyl]-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 166984362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).