N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide

C12H18F3NO — CID 167136623

IUPACN-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C12H18F3NO/c1-7(2)8(3)16-9(17)10-4-11(5-10,6-10)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17)/t8-,10?,11?/m1/s1
InChIKeyKRLUIYJSUVDQQR-MFAVDMRSSA-N
MW249.28 g/mol
LogP2.88
Rot. Bonds3

About N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide

N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 167136623) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID167136623
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C12H18F3NO/c1-7(2)8(3)16-9(17)10-4-11(5-10,6-10)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17)/t8-,10?,11?/m1/s1
InChIKeyKRLUIYJSUVDQQR-MFAVDMRSSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 167136623) is N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide is CC(C)[C@@H](C)NC(=O)C12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is KRLUIYJSUVDQQR-MFAVDMRSSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-7(2)8(3)16-9(17)10-4-11(5-10,6-10)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17)/t8-,10?,11?/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 167136623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).