2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

C10H14FNO — CID 167447240

IUPAC2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)NC(=O)C1=C(F)CCC=C1
InChIInChI=1S/C10H14FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyAFQIYBYUMLKQQK-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.08
Rot. Bonds2

About 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 167447240) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID167447240
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)NC(=O)C1=C(F)CCC=C1
InChIInChI=1S/C10H14FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyAFQIYBYUMLKQQK-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.08
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-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (CID 167447240) is 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is CC(C)NC(=O)C1=C(F)CCC=C1.
What is the InChIKey of 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is AFQIYBYUMLKQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3,5,7H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 2.08, 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-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 167447240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).