N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine

C14H13F4NO — CID 107289734

IUPACN-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)o1
InChIInChI=1S/C14H13F4NO/c1-2-19-8-10-4-6-13(20-10)9-3-5-11(12(15)7-9)14(16,17)18/h3-7,19H,2,8H2,1H3
InChIKeySWZAYFBVUKJGMP-UHFFFAOYSA-N
MW287.26 g/mol
LogP4.21
Rot. Bonds4

About N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine

N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine (PubChem CID 107289734) has the molecular formula C14H13F4NO and a molecular weight of 287.26 g/mol. Its IUPAC name is N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
PubChem CID107289734
Molecular FormulaC14H13F4NO
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC NameN-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)o1
InChIInChI=1S/C14H13F4NO/c1-2-19-8-10-4-6-13(20-10)9-3-5-11(12(15)7-9)14(16,17)18/h3-7,19H,2,8H2,1H3
InChIKeySWZAYFBVUKJGMP-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887121
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 64855525
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 55119419
[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
CID 61228246
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63086504

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine (CID 107289734) is N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)o1.
What is the InChIKey of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine?
The InChIKey is SWZAYFBVUKJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO/c1-2-19-8-10-4-6-13(20-10)9-3-5-11(12(15)7-9)14(16,17)18/h3-7,19H,2,8H2,1H3.
What are the key properties of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine?
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine has a molecular weight of 287.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 107289734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).