2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide

C9H14FNO — CID 126514043

IUPAC2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide
SMILESCC(C)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C9H14FNO/c1-6(2)11-9(12)7-4-3-5-8(7)10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyXEQHHYFAOKZFQM-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.92
Rot. Bonds2

About 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide

2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide (PubChem CID 126514043) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide
PubChem CID126514043
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide
SMILESCC(C)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C9H14FNO/c1-6(2)11-9(12)7-4-3-5-8(7)10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyXEQHHYFAOKZFQM-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide?
The IUPAC name of 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide (CID 126514043) is 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide is CC(C)NC(=O)C1=C(F)CCC1.
What is the InChIKey of 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide?
The InChIKey is XEQHHYFAOKZFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6(2)11-9(12)7-4-3-5-8(7)10/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide?
2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide is sourced from PubChem (CID 126514043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).