N-(difluoromethyl)-N-propylpropan-1-amine

C7H15F2N — CID 23154532

IUPACN-(difluoromethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)C(F)F
InChIInChI=1S/C7H15F2N/c1-3-5-10(6-4-2)7(8)9/h7H,3-6H2,1-2H3
InChIKeyTYNBWTSSNRAYPR-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.33
Rot. Bonds5

About N-(difluoromethyl)-N-propylpropan-1-amine

N-(difluoromethyl)-N-propylpropan-1-amine (PubChem CID 23154532) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propylpropan-1-amine
PubChem CID23154532
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC NameN-(difluoromethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)C(F)F
InChIInChI=1S/C7H15F2N/c1-3-5-10(6-4-2)7(8)9/h7H,3-6H2,1-2H3
InChIKeyTYNBWTSSNRAYPR-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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-propylpropan-1-amine?
The IUPAC name of N-(difluoromethyl)-N-propylpropan-1-amine (CID 23154532) is N-(difluoromethyl)-N-propylpropan-1-amine.
What is the SMILES notation for N-(difluoromethyl)-N-propylpropan-1-amine?
The canonical SMILES for N-(difluoromethyl)-N-propylpropan-1-amine is CCCN(CCC)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-propylpropan-1-amine?
The InChIKey is TYNBWTSSNRAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-3-5-10(6-4-2)7(8)9/h7H,3-6H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N-propylpropan-1-amine?
N-(difluoromethyl)-N-propylpropan-1-amine has a molecular weight of 151.20 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 23154532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).