N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide

C10H11ClF3NO — CID 176929099

IUPACN-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
SMILESCCC(=O)NC1=CCC(C(F)(F)F)C=C1Cl
InChIInChI=1S/C10H11ClF3NO/c1-2-9(16)15-8-4-3-6(5-7(8)11)10(12,13)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyLDDSZUPWZCAAEQ-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.10
Rot. Bonds2

About N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide

N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide (PubChem CID 176929099) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide.

Molecular Properties

Compound NameN-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
PubChem CID176929099
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC NameN-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
SMILESCCC(=O)NC1=CCC(C(F)(F)F)C=C1Cl
InChIInChI=1S/C10H11ClF3NO/c1-2-9(16)15-8-4-3-6(5-7(8)11)10(12,13)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyLDDSZUPWZCAAEQ-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
CID 118446180
N-[4-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2,2-dimethylpropanamide
CID 123658305
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126661691
N-[3,5-difluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide
CID 173596333
N-[6-chloro-4-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]acetamide
CID 176929617
N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide
CID 176929772
6-(chloromethyl)-4-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083737
6-(chloromethyl)-3-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130083740
2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
CID 162559201
4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one
CID 177239516
N-(3-amino-4-chloro-1-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 70530050
N-(6-chlorocyclohexa-1,5-dien-1-yl)propanamide
CID 167213695

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
The IUPAC name of N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide (CID 176929099) is N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide.
What is the SMILES notation for N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
The canonical SMILES for N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide is CCC(=O)NC1=CCC(C(F)(F)F)C=C1Cl.
What is the InChIKey of N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
The InChIKey is LDDSZUPWZCAAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-2-9(16)15-8-4-3-6(5-7(8)11)10(12,13)14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
N-[6-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide has a molecular weight of 253.65 g/mol, XLogP of 3.10, 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-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide is sourced from PubChem (CID 176929099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).