4-tert-butyl-N-(2,2-difluoroethyl)aniline

C12H17F2N — CID 60922267

IUPAC4-tert-butyl-N-(2,2-difluoroethyl)aniline
SMILESCC(C)(C)c1ccc(NCC(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7,11,15H,8H2,1-3H3
InChIKeyVUJXFESUJUYKGZ-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.66
Rot. Bonds3

About 4-tert-butyl-N-(2,2-difluoroethyl)aniline

4-tert-butyl-N-(2,2-difluoroethyl)aniline (PubChem CID 60922267) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-difluoroethyl)aniline
PubChem CID60922267
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name4-tert-butyl-N-(2,2-difluoroethyl)aniline
SMILESCC(C)(C)c1ccc(NCC(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7,11,15H,8H2,1-3H3
InChIKeyVUJXFESUJUYKGZ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
(4-tert-butylanilino)methanethiol
CID 88942833
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
CID 64597564
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
4-tert-butyl-N-but-2-ynylaniline
CID 62309729
(4-tert-butylphenyl)hydrazine
CID 2773676
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
N"-(4-tert-butylphenyl)methanetriamine
CID 166823886
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 4-tert-butyl-N-(2,2-difluoroethyl)aniline (CID 60922267) is 4-tert-butyl-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(2,2-difluoroethyl)aniline is CC(C)(C)c1ccc(NCC(F)F)cc1.
What is the InChIKey of 4-tert-butyl-N-(2,2-difluoroethyl)aniline?
The InChIKey is VUJXFESUJUYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7,11,15H,8H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2,2-difluoroethyl)aniline?
4-tert-butyl-N-(2,2-difluoroethyl)aniline has a molecular weight of 213.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 60922267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).