[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol

C13H15F3N2O3 — CID 11472201

IUPAC[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-7-9(3-4-11(10)18(20)21)17-12(8-19)5-1-2-6-12/h3-4,7,17,19H,1-2,5-6,8H2
InChIKeyRMLCHFUCPSSMLA-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.33
Rot. Bonds4

About [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol

[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol (PubChem CID 11472201) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
PubChem CID11472201
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-7-9(3-4-11(10)18(20)21)17-12(8-19)5-1-2-6-12/h3-4,7,17,19H,1-2,5-6,8H2
InChIKeyRMLCHFUCPSSMLA-UHFFFAOYSA-N
XLogP3.33
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
CID 106749253
[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62552640
5-[[1-(hydroxymethyl)cyclobutyl]amino]-2-nitrobenzonitrile
CID 104844166
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
CID 63671999
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
[1-(3-amino-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 106749254
4-nitro-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 43448258
N-(cyclopropylmethyl)-4-nitro-3-(trifluoromethyl)aniline
CID 11391299
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
[1-(5-bromo-2-nitroanilino)cyclohexyl]methanol
CID 65343189
trans-(1S,2S)-2-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 133495358

Frequently Asked Questions

What is the IUPAC name of [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol?
The IUPAC name of [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol (CID 11472201) is [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol.
What is the SMILES notation for [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol?
The canonical SMILES for [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol is O=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1C(F)(F)F.
What is the InChIKey of [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol?
The InChIKey is RMLCHFUCPSSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)10-7-9(3-4-11(10)18(20)21)17-12(8-19)5-1-2-6-12/h3-4,7,17,19H,1-2,5-6,8H2.
What are the key properties of [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol?
[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol has a molecular weight of 304.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol is sourced from PubChem (CID 11472201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).