N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

C13H20FNO — CID 155197701

IUPACN-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)C1C=CC(C(=O)N(C)CCF)=CC1
InChIInChI=1S/C13H20FNO/c1-10(2)11-4-6-12(7-5-11)13(16)15(3)9-8-14/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyHZEBSYCVMCDFLY-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.57
Rot. Bonds4

About N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 155197701) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID155197701
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)C1C=CC(C(=O)N(C)CCF)=CC1
InChIInChI=1S/C13H20FNO/c1-10(2)11-4-6-12(7-5-11)13(16)15(3)9-8-14/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyHZEBSYCVMCDFLY-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (CID 155197701) is N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is CC(C)C1C=CC(C(=O)N(C)CCF)=CC1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is HZEBSYCVMCDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)11-4-6-12(7-5-11)13(16)15(3)9-8-14/h4,6-7,10-11H,5,8-9H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 155197701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).