N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine

C9H19F2N — CID 129033934

IUPACN-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCC(F)F
InChIInChI=1S/C9H19F2N/c1-9(2,3)5-4-6-12-7-8(10)11/h8,12H,4-7H2,1-3H3
InChIKeyVGYNNCSQILUGIW-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.67
Rot. Bonds5

About N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine

N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine (PubChem CID 129033934) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine
PubChem CID129033934
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC NameN-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCC(F)F
InChIInChI=1S/C9H19F2N/c1-9(2,3)5-4-6-12-7-8(10)11/h8,12H,4-7H2,1-3H3
InChIKeyVGYNNCSQILUGIW-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.67
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 N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine (CID 129033934) is N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCCNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine?
The InChIKey is VGYNNCSQILUGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-9(2,3)5-4-6-12-7-8(10)11/h8,12H,4-7H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine?
N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 129033934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).