2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide

C12H20FNO2 — CID 126794160

IUPAC2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1(C)CC1F
InChIInChI=1S/C12H20FNO2/c1-11(7-9(11)13)10(15)14(2)8-12(16)5-3-4-6-12/h9,16H,3-8H2,1-2H3
InChIKeyOXBPBQLQGJRKGX-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide

2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 126794160) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID126794160
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1(C)CC1F
InChIInChI=1S/C12H20FNO2/c1-11(7-9(11)13)10(15)14(2)8-12(16)5-3-4-6-12/h9,16H,3-8H2,1-2H3
InChIKeyOXBPBQLQGJRKGX-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide (CID 126794160) is 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide is CN(CC1(O)CCCC1)C(=O)C1(C)CC1F.
What is the InChIKey of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is OXBPBQLQGJRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-11(7-9(11)13)10(15)14(2)8-12(16)5-3-4-6-12/h9,16H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 229.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 126794160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).