2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol

C12H14F2N2O3 — CID 115507892

IUPAC2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1c(F)cc(F)cc1NC1CCCCC1O
InChIInChI=1S/C12H14F2N2O3/c13-7-5-8(14)12(16(18)19)10(6-7)15-9-3-1-2-4-11(9)17/h5-6,9,11,15,17H,1-4H2
InChIKeyAMQBDQAJRMLMEO-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.59
Rot. Bonds3

About 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol

2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol (PubChem CID 115507892) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol
PubChem CID115507892
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1c(F)cc(F)cc1NC1CCCCC1O
InChIInChI=1S/C12H14F2N2O3/c13-7-5-8(14)12(16(18)19)10(6-7)15-9-3-1-2-4-11(9)17/h5-6,9,11,15,17H,1-4H2
InChIKeyAMQBDQAJRMLMEO-UHFFFAOYSA-N
XLogP2.59
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.59
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-(2,3,5-trifluoroanilino)cyclohexan-1-ol
CID 55118688
N-(3,5-difluoro-2-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 115507852
N-(3,3-dimethylcyclohexyl)-3,5-difluoro-2-nitroaniline
CID 115508041
N-(3,5-difluoro-2-nitrophenyl)-1-methylpiperidin-3-amine
CID 115507795
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
N-(3-ethylcyclohexyl)-3,5-difluoro-2-nitroaniline
CID 115507980
N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
CID 106012836
3-(3,5-difluoro-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258508
tert-butyl 4-(3,5-difluoro-2-nitroanilino)piperidine-1-carboxylate
CID 71055097
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
2-[2-nitro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 22100123
2-(3-fluoro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 64815498

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol?
The IUPAC name of 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol (CID 115507892) is 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol is O=[N+]([O-])c1c(F)cc(F)cc1NC1CCCCC1O.
What is the InChIKey of 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol?
The InChIKey is AMQBDQAJRMLMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c13-7-5-8(14)12(16(18)19)10(6-7)15-9-3-1-2-4-11(9)17/h5-6,9,11,15,17H,1-4H2.
What are the key properties of 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol?
2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol has a molecular weight of 272.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol is sourced from PubChem (CID 115507892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).