2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide

C10H14F2N2O — CID 126732342

IUPAC2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(F)(F)C1=CCC(NC(=O)CN)C=C1
InChIInChI=1S/C10H14F2N2O/c1-10(11,12)7-2-4-8(5-3-7)14-9(15)6-13/h2-4,8H,5-6,13H2,1H3,(H,14,15)
InChIKeyUJCROQJPRNKESG-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide

2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 126732342) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID126732342
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(F)(F)C1=CCC(NC(=O)CN)C=C1
InChIInChI=1S/C10H14F2N2O/c1-10(11,12)7-2-4-8(5-3-7)14-9(15)6-13/h2-4,8H,5-6,13H2,1H3,(H,14,15)
InChIKeyUJCROQJPRNKESG-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89073531
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CID 89073584
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CID 90860011
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CID 121321798
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CID 126663489
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CID 135220345
CID 135220345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide (CID 126732342) is 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide is CC(F)(F)C1=CCC(NC(=O)CN)C=C1.
What is the InChIKey of 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is UJCROQJPRNKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-10(11,12)7-2-4-8(5-3-7)14-9(15)6-13/h2-4,8H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide?
2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 216.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 126732342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).