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

C14H13F4NO — CID 107288862

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccco1
InChIInChI=1S/C14H13F4NO/c1-2-19-13(12-4-3-7-20-12)9-5-6-10(11(15)8-9)14(16,17)18/h3-8,13,19H,2H2,1H3
InChIKeySNDATIPMDGYLCK-UHFFFAOYSA-N
MW287.26 g/mol
LogP4.14
Rot. Bonds4

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

N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine (PubChem CID 107288862) has the molecular formula C14H13F4NO and a molecular weight of 287.26 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
PubChem CID107288862
Molecular FormulaC14H13F4NO
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccco1
InChIInChI=1S/C14H13F4NO/c1-2-19-13(12-4-3-7-20-12)9-5-6-10(11(15)8-9)14(16,17)18/h3-8,13,19H,2H2,1H3
InChIKeySNDATIPMDGYLCK-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 107288766
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107288998
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978064
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490490
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine (CID 107288862) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccco1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine?
The InChIKey is SNDATIPMDGYLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO/c1-2-19-13(12-4-3-7-20-12)9-5-6-10(11(15)8-9)14(16,17)18/h3-8,13,19H,2H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine has a molecular weight of 287.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 107288862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).