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

C8H17F2N — CID 61043538

IUPACN-(2,2-difluoroethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC(F)F
InChIInChI=1S/C8H17F2N/c1-7(2)4-3-5-11-6-8(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyLEVLBSJCOBACGO-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.28
Rot. Bonds6

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

N-(2,2-difluoroethyl)-4-methylpentan-1-amine (PubChem CID 61043538) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-methylpentan-1-amine
PubChem CID61043538
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC NameN-(2,2-difluoroethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC(F)F
InChIInChI=1S/C8H17F2N/c1-7(2)4-3-5-11-6-8(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyLEVLBSJCOBACGO-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.28
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-methylpentan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4-methylpentan-1-amine (CID 61043538) is N-(2,2-difluoroethyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-methylpentan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4-methylpentan-1-amine is CC(C)CCCNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4-methylpentan-1-amine?
The InChIKey is LEVLBSJCOBACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-7(2)4-3-5-11-6-8(9)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-4-methylpentan-1-amine?
N-(2,2-difluoroethyl)-4-methylpentan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.28, 6 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-methylpentan-1-amine is sourced from PubChem (CID 61043538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).