2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

C14H23F3N2O — CID 79811133

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-11(2)8-5-6-12(3,7-8)9(11)19-10(20)13(4,18)14(15,16)17/h8-9H,5-7,18H2,1-4H3,(H,19,20)
InChIKeyZJDCMIXBVIWIMA-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.60
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (PubChem CID 79811133) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
PubChem CID79811133
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-11(2)8-5-6-12(3,7-8)9(11)19-10(20)13(4,18)14(15,16)17/h8-9H,5-7,18H2,1-4H3,(H,19,20)
InChIKeyZJDCMIXBVIWIMA-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (CID 79811133) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is CC12CCC(C1)C(C)(C)C2NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The InChIKey is ZJDCMIXBVIWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-11(2)8-5-6-12(3,7-8)9(11)19-10(20)13(4,18)14(15,16)17/h8-9H,5-7,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide has a molecular weight of 292.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is sourced from PubChem (CID 79811133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).