N-cycloheptyl-2,2,2-trifluoroacetamide

C9H14F3NO — CID 566025

IUPACN-cycloheptyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)13-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,13,14)
InChIKeyTUHBKESOIAKHHR-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.39
Rot. Bonds1

About N-cycloheptyl-2,2,2-trifluoroacetamide

N-cycloheptyl-2,2,2-trifluoroacetamide (PubChem CID 566025) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-cycloheptyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2,2,2-trifluoroacetamide
PubChem CID566025
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-cycloheptyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)13-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,13,14)
InChIKeyTUHBKESOIAKHHR-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-2,2,2-trifluoroacetamide
CID 557702
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
CID 4686073
Acetamide, N-cyclohexyl-2-fluoro-
CID 120745
N-Trifluoroacetyl-2-octylamine
CID 529469
2,2,2-Trifluoro-n-octylacetamide
CID 535284
2,2,2-Trifluoro-n-hexylacetamide
CID 539424
N-Cyclopentyl-2,2,2-trifluoroacetamide
CID 549344
n-Decyl-2,2,2-trifluoroacetamide
CID 603428
Acetamide, N-(6-aminohexyl)-2,2,2-trifluoro-
CID 11805999
N-(n-Undecyl)trifluoroacetamide
CID 607652
N-cyclohexyl-3,3,3-trifluoropropanamide
CID 45806629

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-cycloheptyl-2,2,2-trifluoroacetamide (CID 566025) is N-cycloheptyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-cycloheptyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-cycloheptyl-2,2,2-trifluoroacetamide is O=C(NC1CCCCCC1)C(F)(F)F.
What is the InChIKey of N-cycloheptyl-2,2,2-trifluoroacetamide?
The InChIKey is TUHBKESOIAKHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)8(14)13-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,13,14).
What are the key properties of N-cycloheptyl-2,2,2-trifluoroacetamide?
N-cycloheptyl-2,2,2-trifluoroacetamide has a molecular weight of 209.21 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 566025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).