[6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone

C14H12F3NO — CID 67743822

IUPAC[6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESNC1(C(F)(F)F)C=CC=CC1C(=O)c1ccccc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(18)9-5-4-8-11(13)12(19)10-6-2-1-3-7-10/h1-9,11H,18H2
InChIKeyJKOMXAFZTGTXKX-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.87
Rot. Bonds2

About [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone

[6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone (PubChem CID 67743822) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
PubChem CID67743822
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESNC1(C(F)(F)F)C=CC=CC1C(=O)c1ccccc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(18)9-5-4-8-11(13)12(19)10-6-2-1-3-7-10/h1-9,11H,18H2
InChIKeyJKOMXAFZTGTXKX-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The IUPAC name of [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone (CID 67743822) is [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone.
What is the SMILES notation for [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The canonical SMILES for [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone is NC1(C(F)(F)F)C=CC=CC1C(=O)c1ccccc1.
What is the InChIKey of [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The InChIKey is JKOMXAFZTGTXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)13(18)9-5-4-8-11(13)12(19)10-6-2-1-3-7-10/h1-9,11H,18H2.
What are the key properties of [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
[6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone has a molecular weight of 267.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone is sourced from PubChem (CID 67743822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).