N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine

C15H17F4NO — CID 104578869

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCc1c(C(C)NCC(F)(F)C(F)F)oc2ccccc12
InChIInChI=1S/C15H17F4NO/c1-3-10-11-6-4-5-7-12(11)21-13(10)9(2)20-8-15(18,19)14(16)17/h4-7,9,14,20H,3,8H2,1-2H3
InChIKeyPXTJNDORCXHKJR-UHFFFAOYSA-N
MW303.30 g/mol
LogP4.55
Rot. Bonds6

About N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 104578869) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID104578869
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCc1c(C(C)NCC(F)(F)C(F)F)oc2ccccc12
InChIInChI=1S/C15H17F4NO/c1-3-10-11-6-4-5-7-12(11)21-13(10)9(2)20-8-15(18,19)14(16)17/h4-7,9,14,20H,3,8H2,1-2H3
InChIKeyPXTJNDORCXHKJR-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61043837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 104578869) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine is CCc1c(C(C)NCC(F)(F)C(F)F)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is PXTJNDORCXHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c1-3-10-11-6-4-5-7-12(11)21-13(10)9(2)20-8-15(18,19)14(16)17/h4-7,9,14,20H,3,8H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 303.30 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 104578869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).