2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide

C15H23F2NO — CID 153389609

IUPAC2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(C)C1=CC(C(F)F)=CC(C(C)C)C1CC(N)=O
InChIInChI=1S/C15H23F2NO/c1-8(2)11-5-10(15(16)17)6-12(9(3)4)13(11)7-14(18)19/h5-6,8-9,11,13,15H,7H2,1-4H3,(H2,18,19)
InChIKeyMIOAKUHEMFHUBR-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide

2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 153389609) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID153389609
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(C)C1=CC(C(F)F)=CC(C(C)C)C1CC(N)=O
InChIInChI=1S/C15H23F2NO/c1-8(2)11-5-10(15(16)17)6-12(9(3)4)13(11)7-14(18)19/h5-6,8-9,11,13,15H,7H2,1-4H3,(H2,18,19)
InChIKeyMIOAKUHEMFHUBR-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Cyclopropyl-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68949408
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
6-Ethyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 69543217
6-Ethyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 69708078
6-Fluoro-4-methylcyclohex-3-ene-1-carboxamide
CID 89642575
3-[6-(Cyclopropylmethyl)cyclohex-2-en-1-yl]-4,4,4-trifluorobutanamide
CID 117721532
3-Cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
CID 142652189
4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine
CID 143238892
(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide
CID 143993629
6-Fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide
CID 146308368
2-(1,1,2-Trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 146418261
2-(2,2,2-Trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 146418263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide (CID 153389609) is 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide is CC(C)C1=CC(C(F)F)=CC(C(C)C)C1CC(N)=O.
What is the InChIKey of 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is MIOAKUHEMFHUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-8(2)11-5-10(15(16)17)6-12(9(3)4)13(11)7-14(18)19/h5-6,8-9,11,13,15H,7H2,1-4H3,(H2,18,19).
What are the key properties of 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide?
2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 271.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 153389609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).