N-(difluoromethyl)-N-propan-2-ylpropan-2-amine

C7H15F2N — CID 10441872

IUPACN-(difluoromethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(F)F
InChIInChI=1S/C7H15F2N/c1-5(2)10(6(3)4)7(8)9/h5-7H,1-4H3
InChIKeyRAHREUMZWAYFAO-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.33
Rot. Bonds3

About N-(difluoromethyl)-N-propan-2-ylpropan-2-amine

N-(difluoromethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 10441872) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propan-2-ylpropan-2-amine
PubChem CID10441872
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC NameN-(difluoromethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(F)F
InChIInChI=1S/C7H15F2N/c1-5(2)10(6(3)4)7(8)9/h5-7H,1-4H3
InChIKeyRAHREUMZWAYFAO-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(difluoromethyl)-N-propan-2-ylpropan-2-amine (CID 10441872) is N-(difluoromethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(difluoromethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(difluoromethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is RAHREUMZWAYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-5(2)10(6(3)4)7(8)9/h5-7H,1-4H3.
What are the key properties of N-(difluoromethyl)-N-propan-2-ylpropan-2-amine?
N-(difluoromethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 151.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 10441872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).