1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide

C9H16FNO — CID 25012444

IUPAC1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(F)C(C)(C)C1(C)C
InChIInChI=1S/C9H16FNO/c1-7(2)8(3,4)9(7,10)6(12)11-5/h1-5H3,(H,11,12)
InChIKeyDFUFELQKTGHQCB-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.51
Rot. Bonds1

About 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide

1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide (PubChem CID 25012444) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
PubChem CID25012444
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(F)C(C)(C)C1(C)C
InChIInChI=1S/C9H16FNO/c1-7(2)8(3,4)9(7,10)6(12)11-5/h1-5H3,(H,11,12)
InChIKeyDFUFELQKTGHQCB-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide (CID 25012444) is 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide is CNC(=O)C1(F)C(C)(C)C1(C)C.
What is the InChIKey of 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The InChIKey is DFUFELQKTGHQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)8(3,4)9(7,10)6(12)11-5/h1-5H3,(H,11,12).
What are the key properties of 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide has a molecular weight of 173.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide is sourced from PubChem (CID 25012444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).