2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine

C11H14F3N — CID 112566903

IUPAC2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cc(F)ccc1F
InChIInChI=1S/C11H14F3N/c1-7(2)11(14,6-15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,15H2,1-2H3
InChIKeyDWDONGIPGXTWRL-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.74
Rot. Bonds3

About 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine

2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine (PubChem CID 112566903) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
PubChem CID112566903
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cc(F)ccc1F
InChIInChI=1S/C11H14F3N/c1-7(2)11(14,6-15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,15H2,1-2H3
InChIKeyDWDONGIPGXTWRL-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
2-(2,3-difluoro-4-methylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 107514807
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
2-[(2,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566952
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-(3,4-dimethylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 112567003
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine (CID 112566903) is 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine is CC(C)C(F)(CN)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is DWDONGIPGXTWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(2)11(14,6-15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine?
2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 112566903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).