N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide

C11H15ClFNO — CID 176929772

IUPACN-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CCC(C(C)(C)F)C=C1Cl
InChIInChI=1S/C11H15ClFNO/c1-7(15)14-10-5-4-8(6-9(10)12)11(2,3)13/h5-6,8H,4H2,1-3H3,(H,14,15)
InChIKeyFZSJXXDTAFMUEK-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.90
Rot. Bonds2

About N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide

N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide (PubChem CID 176929772) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide
PubChem CID176929772
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC NameN-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CCC(C(C)(C)F)C=C1Cl
InChIInChI=1S/C11H15ClFNO/c1-7(15)14-10-5-4-8(6-9(10)12)11(2,3)13/h5-6,8H,4H2,1-3H3,(H,14,15)
InChIKeyFZSJXXDTAFMUEK-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide?
The IUPAC name of N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide (CID 176929772) is N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide.
What is the SMILES notation for N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide?
The canonical SMILES for N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide is CC(=O)NC1=CCC(C(C)(C)F)C=C1Cl.
What is the InChIKey of N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide?
The InChIKey is FZSJXXDTAFMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(15)14-10-5-4-8(6-9(10)12)11(2,3)13/h5-6,8H,4H2,1-3H3,(H,14,15).
What are the key properties of N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide?
N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide has a molecular weight of 231.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide is sourced from PubChem (CID 176929772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).