1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine

C15H15F4NO — CID 63086504

IUPAC1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C15H15F4NO/c1-9(20-2)7-11-4-6-14(21-11)10-3-5-13(16)12(8-10)15(17,18)19/h3-6,8-9,20H,7H2,1-2H3
InChIKeySYUZRXIJJWMBJR-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.25
Rot. Bonds4

About 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine

1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine (PubChem CID 63086504) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
PubChem CID63086504
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Name1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C15H15F4NO/c1-9(20-2)7-11-4-6-14(21-11)10-3-5-13(16)12(8-10)15(17,18)19/h3-6,8-9,20H,7H2,1-2H3
InChIKeySYUZRXIJJWMBJR-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
1-[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63084101
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
CID 63086320
[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
CID 61228246
1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55180352
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
N-methyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086159
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine (CID 63086504) is 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is SYUZRXIJJWMBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c1-9(20-2)7-11-4-6-14(21-11)10-3-5-13(16)12(8-10)15(17,18)19/h3-6,8-9,20H,7H2,1-2H3.
What are the key properties of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine?
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 301.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 63086504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).