N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide

C14H16F3NO — CID 14502071

IUPACN-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide
SMILESCC(=O)NC1CCc2ccc(C(F)(F)F)cc2CC1
InChIInChI=1S/C14H16F3NO/c1-9(19)18-13-6-3-10-2-5-12(14(15,16)17)8-11(10)4-7-13/h2,5,8,13H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyKGXRMNCPOTWOAZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.09
Rot. Bonds1

About N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide

N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide (PubChem CID 14502071) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide
PubChem CID14502071
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide
SMILESCC(=O)NC1CCc2ccc(C(F)(F)F)cc2CC1
InChIInChI=1S/C14H16F3NO/c1-9(19)18-13-6-3-10-2-5-12(14(15,16)17)8-11(10)4-7-13/h2,5,8,13H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyKGXRMNCPOTWOAZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-(2,4,5-Trimethylbenzyl)-acetamide
CID 295549
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514
N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide
CID 11219713
2,2,2-Trifluoro-N-(3-phenylpropyl)acetamide
CID 576337
Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(1-methyl-2-phenylethyl)-
CID 617568
N-Trifluoroacetyl amphetamine
CID 530398
Cinnamamide, N-cyclopropyl-alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033649
Cinnamamide, N-allyl-alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033650
Acetamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-
CID 37031
Propionamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 210300
Acetamide, N-methyl-2-(alpha-methyl-m-trifluoromethylphenethylamino)-
CID 39464

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide (CID 14502071) is N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide is CC(=O)NC1CCc2ccc(C(F)(F)F)cc2CC1.
What is the InChIKey of N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide?
The InChIKey is KGXRMNCPOTWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9(19)18-13-6-3-10-2-5-12(14(15,16)17)8-11(10)4-7-13/h2,5,8,13H,3-4,6-7H2,1H3,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide?
N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]acetamide is sourced from PubChem (CID 14502071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).