N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide

C9H11ClF3NO2 — CID 162576484

IUPACN-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=C(Cl)C(OC(F)(F)F)CC1
InChIInChI=1S/C9H11ClF3NO2/c1-5(15)14-6-2-3-8(7(10)4-6)16-9(11,12)13/h4,6,8H,2-3H2,1H3,(H,14,15)
InChIKeyIZZADPQAGRBMHO-UHFFFAOYSA-N
MW257.64 g/mol
LogP2.31
Rot. Bonds2

About N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide

N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide (PubChem CID 162576484) has the molecular formula C9H11ClF3NO2 and a molecular weight of 257.64 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide
PubChem CID162576484
Molecular FormulaC9H11ClF3NO2
Molecular Weight257.64 g/mol
Exact Mass257.04
IUPAC NameN-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=C(Cl)C(OC(F)(F)F)CC1
InChIInChI=1S/C9H11ClF3NO2/c1-5(15)14-6-2-3-8(7(10)4-6)16-9(11,12)13/h4,6,8H,2-3H2,1H3,(H,14,15)
InChIKeyIZZADPQAGRBMHO-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide (CID 162576484) is N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide is CC(=O)NC1C=C(Cl)C(OC(F)(F)F)CC1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide?
The InChIKey is IZZADPQAGRBMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO2/c1-5(15)14-6-2-3-8(7(10)4-6)16-9(11,12)13/h4,6,8H,2-3H2,1H3,(H,14,15).
What are the key properties of N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide?
N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide has a molecular weight of 257.64 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethoxy)cyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 162576484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).