N-ethyl-1,1-difluoropentan-2-amine

C7H15F2N — CID 80604281

IUPACN-ethyl-1,1-difluoropentan-2-amine
SMILESCCCC(NCC)C(F)F
InChIInChI=1S/C7H15F2N/c1-3-5-6(7(8)9)10-4-2/h6-7,10H,3-5H2,1-2H3
InChIKeyAEHZABYSHGNXPW-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.03
Rot. Bonds5

About N-ethyl-1,1-difluoropentan-2-amine

N-ethyl-1,1-difluoropentan-2-amine (PubChem CID 80604281) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is N-ethyl-1,1-difluoropentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoropentan-2-amine
PubChem CID80604281
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC NameN-ethyl-1,1-difluoropentan-2-amine
SMILESCCCC(NCC)C(F)F
InChIInChI=1S/C7H15F2N/c1-3-5-6(7(8)9)10-4-2/h6-7,10H,3-5H2,1-2H3
InChIKeyAEHZABYSHGNXPW-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoropentan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoropentan-2-amine (CID 80604281) is N-ethyl-1,1-difluoropentan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoropentan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoropentan-2-amine is CCCC(NCC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoropentan-2-amine?
The InChIKey is AEHZABYSHGNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-3-5-6(7(8)9)10-4-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1,1-difluoropentan-2-amine?
N-ethyl-1,1-difluoropentan-2-amine has a molecular weight of 151.20 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoropentan-2-amine is sourced from PubChem (CID 80604281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).