2-(2,5-difluorophenyl)-2-fluoropentan-1-amine

C11H14F3N — CID 112567838

IUPAC2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1cc(F)ccc1F
InChIInChI=1S/C11H14F3N/c1-2-5-11(14,7-15)9-6-8(12)3-4-10(9)13/h3-4,6H,2,5,7,15H2,1H3
InChIKeyGFMOCYSSNXQPGW-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.89
Rot. Bonds4

About 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine

2-(2,5-difluorophenyl)-2-fluoropentan-1-amine (PubChem CID 112567838) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
PubChem CID112567838
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1cc(F)ccc1F
InChIInChI=1S/C11H14F3N/c1-2-5-11(14,7-15)9-6-8(12)3-4-10(9)13/h3-4,6H,2,5,7,15H2,1H3
InChIKeyGFMOCYSSNXQPGW-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566903
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
CID 105396365
2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine
CID 112567938
2-(4-ethylphenyl)-2-fluoropentan-1-amine
CID 112567836
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
CID 112566175

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine (CID 112567838) is 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine is CCCC(F)(CN)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine?
The InChIKey is GFMOCYSSNXQPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-2-5-11(14,7-15)9-6-8(12)3-4-10(9)13/h3-4,6H,2,5,7,15H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-fluoropentan-1-amine?
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 2.89, 4 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-fluoropentan-1-amine is sourced from PubChem (CID 112567838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).