N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine

C9H15F2NO — CID 103517269

IUPACN-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C(F)F
InChIInChI=1S/C9H15F2NO/c1-2-5-12-8(9(10)11)7-4-3-6-13-7/h4,8-9,12H,2-3,5-6H2,1H3
InChIKeyWTBRFPLZDGPUKW-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine

N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 103517269) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID103517269
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C(F)F
InChIInChI=1S/C9H15F2NO/c1-2-5-12-8(9(10)11)7-4-3-6-13-7/h4,8-9,12H,2-3,5-6H2,1H3
InChIKeyWTBRFPLZDGPUKW-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine (CID 103517269) is N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine is CCCNC(C1=CCCO1)C(F)F.
What is the InChIKey of N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is WTBRFPLZDGPUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-5-12-8(9(10)11)7-4-3-6-13-7/h4,8-9,12H,2-3,5-6H2,1H3.
What are the key properties of N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 191.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 103517269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).