N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide

C9H10F3NO — CID 126663639

IUPACN-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H10F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2,4H,3,5H2,1H3,(H,13,14)
InChIKeyKOODTUNIXLRFNR-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.29
Rot. Bonds1

About N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide

N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 126663639) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
PubChem CID126663639
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H10F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2,4H,3,5H2,1H3,(H,13,14)
InChIKeyKOODTUNIXLRFNR-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide (CID 126663639) is N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide is CC(=O)NC1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is KOODTUNIXLRFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2,4H,3,5H2,1H3,(H,13,14).
What are the key properties of N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 205.18 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 126663639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).