6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine

C12H16F3N — CID 83855408

IUPAC6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine
SMILESNCCCCCC(F)(F)c1ccccc1F
InChIInChI=1S/C12H16F3N/c13-11-7-3-2-6-10(11)12(14,15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9,16H2
InChIKeyIAPAOGPAYRSYLG-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.44
Rot. Bonds6

About 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine

6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine (PubChem CID 83855408) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine
PubChem CID83855408
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine
SMILESNCCCCCC(F)(F)c1ccccc1F
InChIInChI=1S/C12H16F3N/c13-11-7-3-2-6-10(11)12(14,15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9,16H2
InChIKeyIAPAOGPAYRSYLG-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine?
The IUPAC name of 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine (CID 83855408) is 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine.
What is the SMILES notation for 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine?
The canonical SMILES for 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine is NCCCCCC(F)(F)c1ccccc1F.
What is the InChIKey of 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine?
The InChIKey is IAPAOGPAYRSYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c13-11-7-3-2-6-10(11)12(14,15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9,16H2.
What are the key properties of 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine?
6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 83855408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).