2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene

C18H24FNO2 — CID 142228274

IUPAC2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene
SMILESCC1CCC(C2(Cc3ccc([N+](=O)[O-])cc3F)CCC2)CC1
InChIInChI=1S/C18H24FNO2/c1-13-3-6-15(7-4-13)18(9-2-10-18)12-14-5-8-16(20(21)22)11-17(14)19/h5,8,11,13,15H,2-4,6-7,9-10,12H2,1H3
InChIKeyYEDODOCKLHFXCQ-UHFFFAOYSA-N
MW305.39 g/mol
LogP5.27
Rot. Bonds4

About 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene

2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene (PubChem CID 142228274) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene.

Molecular Properties

Compound Name2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene
PubChem CID142228274
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene
SMILESCC1CCC(C2(Cc3ccc([N+](=O)[O-])cc3F)CCC2)CC1
InChIInChI=1S/C18H24FNO2/c1-13-3-6-15(7-4-13)18(9-2-10-18)12-14-5-8-16(20(21)22)11-17(14)19/h5,8,11,13,15H,2-4,6-7,9-10,12H2,1H3
InChIKeyYEDODOCKLHFXCQ-UHFFFAOYSA-N
XLogP5.27
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-fluoro-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 62526018
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
cis-(1S,2R)-N-[(2-fluoro-4-nitrophenyl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124840904
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 140989722
2-fluoro-4-nitro-1-tetradecylbenzene
CID 141232177
1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
CID 83412153
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
1-[(2-fluoro-4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910203
1-[(2-bromo-4-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 65420517
(3S)-1-[(2-fluoro-4-nitrophenyl)methyl]pyrrolidin-3-amine
CID 119933867
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene?
The IUPAC name of 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene (CID 142228274) is 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene.
What is the SMILES notation for 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene?
The canonical SMILES for 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene is CC1CCC(C2(Cc3ccc([N+](=O)[O-])cc3F)CCC2)CC1.
What is the InChIKey of 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene?
The InChIKey is YEDODOCKLHFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-13-3-6-15(7-4-13)18(9-2-10-18)12-14-5-8-16(20(21)22)11-17(14)19/h5,8,11,13,15H,2-4,6-7,9-10,12H2,1H3.
What are the key properties of 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene?
2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene has a molecular weight of 305.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene is sourced from PubChem (CID 142228274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).