N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine

C13H13F4NO — CID 114728047

IUPACN-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H13F4NO/c1-2-18-10(7-13(15,16)17)11-6-8-4-3-5-9(14)12(8)19-11/h3-6,10,18H,2,7H2,1H3
InChIKeyDJGNBPZXWSSTKR-UHFFFAOYSA-N
MW275.24 g/mol
LogP4.17
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine

N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine (PubChem CID 114728047) has the molecular formula C13H13F4NO and a molecular weight of 275.24 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
PubChem CID114728047
Molecular FormulaC13H13F4NO
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H13F4NO/c1-2-18-10(7-13(15,16)17)11-6-8-4-3-5-9(14)12(8)19-11/h3-6,10,18H,2,7H2,1H3
InChIKeyDJGNBPZXWSSTKR-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine (CID 114728047) is N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine is CCNC(CC(F)(F)F)c1cc2cccc(F)c2o1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is DJGNBPZXWSSTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-2-18-10(7-13(15,16)17)11-6-8-4-3-5-9(14)12(8)19-11/h3-6,10,18H,2,7H2,1H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 275.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 114728047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).