N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide

C10H14FNO — CID 140669758

IUPACN-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCC(F)=C1
InChIInChI=1S/C10H14FNO/c1-10(2,3)12-9(13)7-4-5-8(11)6-7/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyXZZHAOMUFFPVLK-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.08
Rot. Bonds1

About N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide

N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide (PubChem CID 140669758) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
PubChem CID140669758
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCC(F)=C1
InChIInChI=1S/C10H14FNO/c1-10(2,3)12-9(13)7-4-5-8(11)6-7/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyXZZHAOMUFFPVLK-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide (CID 140669758) is N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide is CC(C)(C)NC(=O)C1=CCC(F)=C1.
What is the InChIKey of N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide?
The InChIKey is XZZHAOMUFFPVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,3)12-9(13)7-4-5-8(11)6-7/h4,6H,5H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide?
N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 140669758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).