N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide

C11H14F3NO — CID 166490284

IUPACN-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide
SMILESCC(CC1=CCCC=C1C(F)(F)F)NC=O
InChIInChI=1S/C11H14F3NO/c1-8(15-7-16)6-9-4-2-3-5-10(9)11(12,13)14/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
InChIKeyOOGAKIWDXHHDAE-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.72
Rot. Bonds4

About N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide

N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide (PubChem CID 166490284) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide
PubChem CID166490284
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide
SMILESCC(CC1=CCCC=C1C(F)(F)F)NC=O
InChIInChI=1S/C11H14F3NO/c1-8(15-7-16)6-9-4-2-3-5-10(9)11(12,13)14/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
InChIKeyOOGAKIWDXHHDAE-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 57109470
N-[3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]formamide
CID 89215069
N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
CID 90860011
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-[3-[3-methyl-5-(trifluoromethyl)cyclohepta-1,5,6-trien-1-yl]propyl]formamide
CID 123980269
N-[[5-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]formamide
CID 138466280
N-[2-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 141898540
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 145433323
Fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone
CID 166490283
N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide
CID 142122835
N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide
CID 142874194

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide (CID 166490284) is N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide is CC(CC1=CCCC=C1C(F)(F)F)NC=O.
What is the InChIKey of N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide?
The InChIKey is OOGAKIWDXHHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(15-7-16)6-9-4-2-3-5-10(9)11(12,13)14/h4-5,7-8H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide?
N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide has a molecular weight of 233.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide is sourced from PubChem (CID 166490284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).