1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol

C13H17FN2O3 — CID 65110529

IUPAC1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(F)cc1NCC1(O)CCCCC1
InChIInChI=1S/C13H17FN2O3/c14-10-4-5-12(16(18)19)11(8-10)15-9-13(17)6-2-1-3-7-13/h4-5,8,15,17H,1-3,6-7,9H2
InChIKeySFKSANQRNAHVTA-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.84
Rot. Bonds4

About 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol

1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol (PubChem CID 65110529) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
PubChem CID65110529
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(F)cc1NCC1(O)CCCCC1
InChIInChI=1S/C13H17FN2O3/c14-10-4-5-12(16(18)19)11(8-10)15-9-13(17)6-2-1-3-7-13/h4-5,8,15,17H,1-3,6-7,9H2
InChIKeySFKSANQRNAHVTA-UHFFFAOYSA-N
XLogP2.84
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.84
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-[(5-fluoro-2-nitroanilino)methyl]cycloheptan-1-ol
CID 65122641
1-[(5-methyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 115689232
1-[(4-chloro-5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 66077805
1-[(4-bromo-5-fluoro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 66110483
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-nitroaniline
CID 107302364
1-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 62404749
1-[(4-bromo-2-nitroanilino)methyl]cyclopentan-1-ol
CID 62896872
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235
1-[(2-iodo-4-nitroanilino)methyl]cyclohexan-1-ol
CID 66095755
1-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
CID 115669115

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol (CID 65110529) is 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol is O=[N+]([O-])c1ccc(F)cc1NCC1(O)CCCCC1.
What is the InChIKey of 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol?
The InChIKey is SFKSANQRNAHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-10-4-5-12(16(18)19)11(8-10)15-9-13(17)6-2-1-3-7-13/h4-5,8,15,17H,1-3,6-7,9H2.
What are the key properties of 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol?
1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol has a molecular weight of 268.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65110529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).