2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol

C14H14F3NO3 — CID 155451949

IUPAC2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(O)C(F)(F)F)c(NCc2ccco2)c1
InChIInChI=1S/C14H14F3NO3/c1-20-9-4-5-11(13(19)14(15,16)17)12(7-9)18-8-10-3-2-6-21-10/h2-7,13,18-19H,8H2,1H3
InChIKeyMZUVGPPCKYWRQP-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.50
Rot. Bonds5

About 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol

2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol (PubChem CID 155451949) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol
PubChem CID155451949
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(O)C(F)(F)F)c(NCc2ccco2)c1
InChIInChI=1S/C14H14F3NO3/c1-20-9-4-5-11(13(19)14(15,16)17)12(7-9)18-8-10-3-2-6-21-10/h2-7,13,18-19H,8H2,1H3
InChIKeyMZUVGPPCKYWRQP-UHFFFAOYSA-N
XLogP3.50
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 27511459
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 124596181
3-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105082960
N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline
CID 70393567
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol (CID 155451949) is 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol is COc1ccc(C(O)C(F)(F)F)c(NCc2ccco2)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol?
The InChIKey is MZUVGPPCKYWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-20-9-4-5-11(13(19)14(15,16)17)12(7-9)18-8-10-3-2-6-21-10/h2-7,13,18-19H,8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol?
2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol has a molecular weight of 301.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 155451949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).