[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol

C16H16F3NO3 — CID 167771250

IUPAC[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)o1
InChIInChI=1S/C16H16F3NO3/c17-16(18,19)23-12-3-1-11(2-4-12)15(7-8-15)20-9-13-5-6-14(10-21)22-13/h1-6,20-21H,7-10H2
InChIKeyGCTMVMUPNPBHFD-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.45
Rot. Bonds6

About [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol

[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol (PubChem CID 167771250) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol
PubChem CID167771250
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)o1
InChIInChI=1S/C16H16F3NO3/c17-16(18,19)23-12-3-1-11(2-4-12)15(7-8-15)20-9-13-5-6-14(10-21)22-13/h1-6,20-21H,7-10H2
InChIKeyGCTMVMUPNPBHFD-UHFFFAOYSA-N
XLogP3.45
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
CID 134332225
[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
CID 115763085
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119246153
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
CID 82709928
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 90976855

Frequently Asked Questions

What is the IUPAC name of [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol (CID 167771250) is [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol is OCc1ccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)o1.
What is the InChIKey of [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is GCTMVMUPNPBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c17-16(18,19)23-12-3-1-11(2-4-12)15(7-8-15)20-9-13-5-6-14(10-21)22-13/h1-6,20-21H,7-10H2.
What are the key properties of [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol?
[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 327.30 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 167771250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).