1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol

C9H16FNO — CID 131018558

IUPAC1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2(F)CC2)C1
InChIInChI=1S/C9H16FNO/c1-8(12)4-5-11(6-8)7-9(10)2-3-9/h12H,2-7H2,1H3
InChIKeyXGMMWJAHHKZYRL-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol

1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 131018558) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID131018558
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2(F)CC2)C1
InChIInChI=1S/C9H16FNO/c1-8(12)4-5-11(6-8)7-9(10)2-3-9/h12H,2-7H2,1H3
InChIKeyXGMMWJAHHKZYRL-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol (CID 131018558) is 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC2(F)CC2)C1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is XGMMWJAHHKZYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(12)4-5-11(6-8)7-9(10)2-3-9/h12H,2-7H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol?
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 173.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 131018558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).