N-(1,1-difluoroethyl)-N-propylpropan-1-amine

C8H17F2N — CID 57486587

IUPACN-(1,1-difluoroethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)(F)F
InChIInChI=1S/C8H17F2N/c1-4-6-11(7-5-2)8(3,9)10/h4-7H2,1-3H3
InChIKeyTZRVYZWGZSHPDN-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.72
Rot. Bonds5

About N-(1,1-difluoroethyl)-N-propylpropan-1-amine

N-(1,1-difluoroethyl)-N-propylpropan-1-amine (PubChem CID 57486587) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-N-propylpropan-1-amine
PubChem CID57486587
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC NameN-(1,1-difluoroethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)(F)F
InChIInChI=1S/C8H17F2N/c1-4-6-11(7-5-2)8(3,9)10/h4-7H2,1-3H3
InChIKeyTZRVYZWGZSHPDN-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.72
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-(1,1-difluoroethyl)-N-propylpropan-1-amine?
The IUPAC name of N-(1,1-difluoroethyl)-N-propylpropan-1-amine (CID 57486587) is N-(1,1-difluoroethyl)-N-propylpropan-1-amine.
What is the SMILES notation for N-(1,1-difluoroethyl)-N-propylpropan-1-amine?
The canonical SMILES for N-(1,1-difluoroethyl)-N-propylpropan-1-amine is CCCN(CCC)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-N-propylpropan-1-amine?
The InChIKey is TZRVYZWGZSHPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-4-6-11(7-5-2)8(3,9)10/h4-7H2,1-3H3.
What are the key properties of N-(1,1-difluoroethyl)-N-propylpropan-1-amine?
N-(1,1-difluoroethyl)-N-propylpropan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 57486587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).