7,7-difluoro-2,2-dimethyloctan-1-amine

C10H21F2N — CID 91540728

IUPAC7,7-difluoro-2,2-dimethyloctan-1-amine
SMILESCC(F)(F)CCCCC(C)(C)CN
InChIInChI=1S/C10H21F2N/c1-9(2,8-13)6-4-5-7-10(3,11)12/h4-8,13H2,1-3H3
InChIKeyKLSAAUYWSHMTNW-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.19
Rot. Bonds6

About 7,7-difluoro-2,2-dimethyloctan-1-amine

7,7-difluoro-2,2-dimethyloctan-1-amine (PubChem CID 91540728) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 7,7-difluoro-2,2-dimethyloctan-1-amine.

Molecular Properties

Compound Name7,7-difluoro-2,2-dimethyloctan-1-amine
PubChem CID91540728
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name7,7-difluoro-2,2-dimethyloctan-1-amine
SMILESCC(F)(F)CCCCC(C)(C)CN
InChIInChI=1S/C10H21F2N/c1-9(2,8-13)6-4-5-7-10(3,11)12/h4-8,13H2,1-3H3
InChIKeyKLSAAUYWSHMTNW-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.19
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 7,7-difluoro-2,2-dimethyloctan-1-amine?
The IUPAC name of 7,7-difluoro-2,2-dimethyloctan-1-amine (CID 91540728) is 7,7-difluoro-2,2-dimethyloctan-1-amine.
What is the SMILES notation for 7,7-difluoro-2,2-dimethyloctan-1-amine?
The canonical SMILES for 7,7-difluoro-2,2-dimethyloctan-1-amine is CC(F)(F)CCCCC(C)(C)CN.
What is the InChIKey of 7,7-difluoro-2,2-dimethyloctan-1-amine?
The InChIKey is KLSAAUYWSHMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-9(2,8-13)6-4-5-7-10(3,11)12/h4-8,13H2,1-3H3.
What are the key properties of 7,7-difluoro-2,2-dimethyloctan-1-amine?
7,7-difluoro-2,2-dimethyloctan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2,2-dimethyloctan-1-amine is sourced from PubChem (CID 91540728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).