1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene

C10H10FNO3 — CID 80752883

IUPAC1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C10H10FNO3/c11-8-3-9(12(13)14)5-10(4-8)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyHXGRYZMWKKVOHA-UHFFFAOYSA-N
MW211.19 g/mol
LogP2.52
Rot. Bonds4

About 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene

1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene (PubChem CID 80752883) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
PubChem CID80752883
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C10H10FNO3/c11-8-3-9(12(13)14)5-10(4-8)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyHXGRYZMWKKVOHA-UHFFFAOYSA-N
XLogP2.52
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.52
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'}

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Related Compounds

3-(cyclopropylmethoxy)-N-methyl-5-nitroaniline
CID 80867585
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
1-(cyclobutylmethoxy)-3-methoxy-5-nitrobenzene;methyl formate
CID 142476868
3-(3-fluoro-5-nitrophenoxy)cyclopentan-1-amine
CID 79465301
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827
1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene
CID 80752062
N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
CID 62347822
4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine
CID 112647861
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
CID 81332154
(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane
CID 71215607
1-fluoro-3-(2-methylcyclohexyl)oxy-5-nitrobenzene
CID 80752281

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene?
The IUPAC name of 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene (CID 80752883) is 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene is O=[N+]([O-])c1cc(F)cc(OCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene?
The InChIKey is HXGRYZMWKKVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-8-3-9(12(13)14)5-10(4-8)15-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene?
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene has a molecular weight of 211.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene is sourced from PubChem (CID 80752883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).