1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine

C20H17F4NO — CID 69123935

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine
SMILESCc1ccc(C(c2ccccc2)C(N)c2cc(F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H17F4NO/c1-12-7-8-17(26-12)18(13-5-3-2-4-6-13)19(25)14-9-15(20(22,23)24)11-16(21)10-14/h2-11,18-19H,25H2,1H3
InChIKeyVCYOTPRQHSPZFJ-UHFFFAOYSA-N
MW363.35 g/mol
LogP5.58
Rot. Bonds4

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine

1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine (PubChem CID 69123935) has the molecular formula C20H17F4NO and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine
PubChem CID69123935
Molecular FormulaC20H17F4NO
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine
SMILESCc1ccc(C(c2ccccc2)C(N)c2cc(F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H17F4NO/c1-12-7-8-17(26-12)18(13-5-3-2-4-6-13)19(25)14-9-15(20(22,23)24)11-16(21)10-14/h2-11,18-19H,25H2,1H3
InChIKeyVCYOTPRQHSPZFJ-UHFFFAOYSA-N
XLogP5.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.35
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine (CID 69123935) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine is Cc1ccc(C(c2ccccc2)C(N)c2cc(F)cc(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine?
The InChIKey is VCYOTPRQHSPZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4NO/c1-12-7-8-17(26-12)18(13-5-3-2-4-6-13)19(25)14-9-15(20(22,23)24)11-16(21)10-14/h2-11,18-19H,25H2,1H3.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine has a molecular weight of 363.35 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(5-methylfuran-2-yl)-2-phenylethanamine is sourced from PubChem (CID 69123935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).