N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline

C16H23FN2O2 — CID 43719057

IUPACN-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
SMILESCC(C)(C)C1CCC(Nc2cc([N+](=O)[O-])ccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)11-4-6-12(7-5-11)18-15-10-13(19(20)21)8-9-14(15)17/h8-12,18H,4-7H2,1-3H3
InChIKeyLXHBDNVKGCFOKU-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.75
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline

N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline (PubChem CID 43719057) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
PubChem CID43719057
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
SMILESCC(C)(C)C1CCC(Nc2cc([N+](=O)[O-])ccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)11-4-6-12(7-5-11)18-15-10-13(19(20)21)8-9-14(15)17/h8-12,18H,4-7H2,1-3H3
InChIKeyLXHBDNVKGCFOKU-UHFFFAOYSA-N
XLogP4.75
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
4-(cyclopropylamino)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide
CID 55348491
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
2-(cyclopropylamino)-4-nitrobenzonitrile
CID 171316320
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166
1-N-cyclopropyl-4-nitrobenzene-1,2-diamine
CID 46941382
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
methyl 2-(cyclopropylamino)-4-nitrobenzoate
CID 142792766
2-fluoro-5-nitro-N-(piperidin-3-ylmethyl)aniline
CID 80554125
(2S)-2-cyclopropyl-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 96542885

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline (CID 43719057) is N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline is CC(C)(C)C1CCC(Nc2cc([N+](=O)[O-])ccc2F)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline?
The InChIKey is LXHBDNVKGCFOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)11-4-6-12(7-5-11)18-15-10-13(19(20)21)8-9-14(15)17/h8-12,18H,4-7H2,1-3H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline?
N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline has a molecular weight of 294.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline is sourced from PubChem (CID 43719057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).