2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol

C14H16ClF3N2O3 — CID 133496347

IUPAC2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CCCC1CCO
InChIInChI=1S/C14H16ClF3N2O3/c15-10-7-12(19-11-3-1-2-8(11)4-5-21)13(20(22)23)6-9(10)14(16,17)18/h6-8,11,19,21H,1-5H2
InChIKeyUWWPBACVQHNGEF-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.23
Rot. Bonds5

About 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol

2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol (PubChem CID 133496347) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol
PubChem CID133496347
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC Name2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CCCC1CCO
InChIInChI=1S/C14H16ClF3N2O3/c15-10-7-12(19-11-3-1-2-8(11)4-5-21)13(20(22)23)6-9(10)14(16,17)18/h6-8,11,19,21H,1-5H2
InChIKeyUWWPBACVQHNGEF-UHFFFAOYSA-N
XLogP4.23
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.23
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

2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclohexane-1-carboxamide
CID 133365751
2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496300
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144
N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2-hydroxy-2-oxo-1,2λ5-oxaphosphetan-4-amine
CID 151585241
4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 123421873
(3R)-N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 9114085
(3S)-N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 9114084
[2-(4,5-dimethoxy-2-nitroanilino)cyclopentyl]methanol
CID 106361972
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555784

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol (CID 133496347) is 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol is O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CCCC1CCO.
What is the InChIKey of 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol?
The InChIKey is UWWPBACVQHNGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c15-10-7-12(19-11-3-1-2-8(11)4-5-21)13(20(22)23)6-9(10)14(16,17)18/h6-8,11,19,21H,1-5H2.
What are the key properties of 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol?
2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol has a molecular weight of 352.74 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol is sourced from PubChem (CID 133496347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).