1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene

C10H9F4NO3 — CID 14330153

IUPAC1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene
SMILESO=[N+]([O-])c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9F4NO3/c11-9(12)10(13,14)6-18-5-7-2-1-3-8(4-7)15(16)17/h1-4,9H,5-6H2
InChIKeyFUXDZDIYWBNNOP-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.01
Rot. Bonds6

About 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene

1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene (PubChem CID 14330153) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene.

Molecular Properties

Compound Name1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene
PubChem CID14330153
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Name1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene
SMILESO=[N+]([O-])c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9F4NO3/c11-9(12)10(13,14)6-18-5-7-2-1-3-8(4-7)15(16)17/h1-4,9H,5-6H2
InChIKeyFUXDZDIYWBNNOP-UHFFFAOYSA-N
XLogP3.01
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.01
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-Nitrobenzaldehyde dimethyl acetal
CID 266777
Methyl 4-nitrobenzyl ether
CID 316176
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole
CID 5067422
Hydroxylamine, O-(m-nitrophenylmethyl)-, monohydrochloride
CID 207297
4-Fluoro-3-nitrobenzyl alcohol
CID 4167587
3-Nitrobenzylidene di(acetate)
CID 97678
m-Nitrobenzyl acetate
CID 155620
2-Methyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 292915
2,2,2-Trifluoro-1-(3-nitrophenyl)ethanol
CID 2844842
1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
CID 36955
2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
CID 57914
2-(Methoxymethyl)-1-methyl-3-nitro-benzene
CID 122651682

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene?
The IUPAC name of 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene (CID 14330153) is 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene.
What is the SMILES notation for 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene?
The canonical SMILES for 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene is O=[N+]([O-])c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene?
The InChIKey is FUXDZDIYWBNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c11-9(12)10(13,14)6-18-5-7-2-1-3-8(4-7)15(16)17/h1-4,9H,5-6H2.
What are the key properties of 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene?
1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene has a molecular weight of 267.18 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-(2,2,3,3-tetrafluoropropoxymethyl)benzene is sourced from PubChem (CID 14330153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).