[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol

C11H12F3NO — CID 115763151

IUPAC[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C11H12F3NO/c12-8-4-10(14)9(13)3-7(8)5-15-11(6-16)1-2-11/h3-4,15-16H,1-2,5-6H2
InChIKeyDSXXXAUVKDECOV-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.72
Rot. Bonds4

About [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol

[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol (PubChem CID 115763151) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
PubChem CID115763151
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C11H12F3NO/c12-8-4-10(14)9(13)3-7(8)5-15-11(6-16)1-2-11/h3-4,15-16H,1-2,5-6H2
InChIKeyDSXXXAUVKDECOV-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578
4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 107452835
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
2-[(2,4,5-trifluorophenyl)methylamino]propane-1,3-diol
CID 115732638
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
CID 115763026
3-fluoro-N'-hydroxy-4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028031
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol (CID 115763151) is [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol is OCC1(NCc2cc(F)c(F)cc2F)CC1.
What is the InChIKey of [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol?
The InChIKey is DSXXXAUVKDECOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-8-4-10(14)9(13)3-7(8)5-15-11(6-16)1-2-11/h3-4,15-16H,1-2,5-6H2.
What are the key properties of [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol?
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol has a molecular weight of 231.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).