3-(1,1,1-trifluoropropan-2-yloxy)benzamide

C10H10F3NO2 — CID 56986321

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cccc(C(N)=O)c1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-6(10(11,12)13)16-8-4-2-3-7(5-8)9(14)15/h2-6H,1H3,(H2,14,15)
InChIKeyZXLUOSKAUUTLMA-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.12
Rot. Bonds3

About 3-(1,1,1-trifluoropropan-2-yloxy)benzamide

3-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 56986321) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID56986321
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cccc(C(N)=O)c1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-6(10(11,12)13)16-8-4-2-3-7(5-8)9(14)15/h2-6H,1H3,(H2,14,15)
InChIKeyZXLUOSKAUUTLMA-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276054
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
ethyl 2-(3-carbamoylphenoxy)butanoate
CID 64662255
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzoic acid
CID 102823742
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 156722435
3-(1-chlorononoxy)benzamide
CID 142780702
3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-propoxybenzamide
CID 22311435
3-methylbenzamide;2-methylpropane
CID 160767336

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 56986321) is 3-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(Oc1cccc(C(N)=O)c1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is ZXLUOSKAUUTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6(10(11,12)13)16-8-4-2-3-7(5-8)9(14)15/h2-6H,1H3,(H2,14,15).
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
3-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 233.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 56986321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).