2-fluoro-4-nitro-1-tetradecylbenzene

C20H32FNO2 — CID 141232177

IUPAC2-fluoro-4-nitro-1-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C20H32FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(22(23)24)17-20(18)21/h15-17H,2-14H2,1H3
InChIKeyUSUJIVLMPPARTD-UHFFFAOYSA-N
MW337.48 g/mol
LogP6.98
Rot. Bonds14

About 2-fluoro-4-nitro-1-tetradecylbenzene

2-fluoro-4-nitro-1-tetradecylbenzene (PubChem CID 141232177) has the molecular formula C20H32FNO2 and a molecular weight of 337.48 g/mol. Its IUPAC name is 2-fluoro-4-nitro-1-tetradecylbenzene.

Molecular Properties

Compound Name2-fluoro-4-nitro-1-tetradecylbenzene
PubChem CID141232177
Molecular FormulaC20H32FNO2
Molecular Weight337.48 g/mol
Exact Mass337.24
IUPAC Name2-fluoro-4-nitro-1-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C20H32FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(22(23)24)17-20(18)21/h15-17H,2-14H2,1H3
InChIKeyUSUJIVLMPPARTD-UHFFFAOYSA-N
XLogP6.98
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.48
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-4-nitro-2-(trifluoromethyl)benzene
CID 70791586
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
2-hexyl-4-nitrobenzoyl bromide
CID 22919948
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2,4-difluoro-1-pentylbenzene
CID 20770613
3-fluoro-4-octylbenzenesulfonic acid
CID 87359696
(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
CID 171205955
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
2-fluoro-4-nitro-1-prop-2-enylbenzene;3-fluoro-4-propylaniline
CID 157429594
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
2-fluoro-5-nitro-N-pentylaniline
CID 43718990
butane;(2-fluoro-4-nitrophenyl)methoxy-hydroxy-oxophosphanium
CID 67786263

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitro-1-tetradecylbenzene?
The IUPAC name of 2-fluoro-4-nitro-1-tetradecylbenzene (CID 141232177) is 2-fluoro-4-nitro-1-tetradecylbenzene.
What is the SMILES notation for 2-fluoro-4-nitro-1-tetradecylbenzene?
The canonical SMILES for 2-fluoro-4-nitro-1-tetradecylbenzene is CCCCCCCCCCCCCCc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-4-nitro-1-tetradecylbenzene?
The InChIKey is USUJIVLMPPARTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(22(23)24)17-20(18)21/h15-17H,2-14H2,1H3.
What are the key properties of 2-fluoro-4-nitro-1-tetradecylbenzene?
2-fluoro-4-nitro-1-tetradecylbenzene has a molecular weight of 337.48 g/mol, XLogP of 6.98, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitro-1-tetradecylbenzene is sourced from PubChem (CID 141232177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).