2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline

C16H23F2N — CID 112681832

IUPAC2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCC1(C)CC(Nc2cc(F)ccc2F)CC(C)(C)C1
InChIInChI=1S/C16H23F2N/c1-15(2)8-12(9-16(3,4)10-15)19-14-7-11(17)5-6-13(14)18/h5-7,12,19H,8-10H2,1-4H3
InChIKeyPMOJEESSGPXPLB-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.98
Rot. Bonds2

About 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline

2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline (PubChem CID 112681832) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
PubChem CID112681832
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCC1(C)CC(Nc2cc(F)ccc2F)CC(C)(C)C1
InChIInChI=1S/C16H23F2N/c1-15(2)8-12(9-16(3,4)10-15)19-14-7-11(17)5-6-13(14)18/h5-7,12,19H,8-10H2,1-4H3
InChIKeyPMOJEESSGPXPLB-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline 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 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The IUPAC name of 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline (CID 112681832) is 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline is CC1(C)CC(Nc2cc(F)ccc2F)CC(C)(C)C1.
What is the InChIKey of 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The InChIKey is PMOJEESSGPXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-15(2)8-12(9-16(3,4)10-15)19-14-7-11(17)5-6-13(14)18/h5-7,12,19H,8-10H2,1-4H3.
What are the key properties of 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline has a molecular weight of 267.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline is sourced from PubChem (CID 112681832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).