4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene

C10H9ClFNO3 — CID 106440888

IUPAC4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
SMILESC/C(=C/Cl)COc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H9ClFNO3/c1-7(5-11)6-16-8-2-3-10(13(14)15)9(12)4-8/h2-5H,6H2,1H3/b7-5-
InChIKeyFFEIADIYBAMCHD-ALCCZGGFSA-N
MW245.64 g/mol
LogP3.26
Rot. Bonds4

About 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene

4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene (PubChem CID 106440888) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
PubChem CID106440888
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
SMILESC/C(=C/Cl)COc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H9ClFNO3/c1-7(5-11)6-16-8-2-3-10(13(14)15)9(12)4-8/h2-5H,6H2,1H3/b7-5-
InChIKeyFFEIADIYBAMCHD-ALCCZGGFSA-N
XLogP3.26
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 53.26
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

(E)-4-(3-fluoro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 55236912
N-(cyanomethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 78989504
N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119523608
1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
2-fluoro-4-(4-methoxybutoxy)-1-nitrobenzene
CID 115777007
4-(3-chloro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 76974995
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
ethyl 5-(3-fluoro-4-nitrophenoxy)-4-oxopentanoate
CID 103484937
2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
CID 66335072
N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
[6-(3-fluoro-4-nitrophenoxy)-2-methylhexan-2-yl]carbamic acid
CID 175236486
4-(3-bromo-2,2-dimethylpropoxy)-2-fluoro-1-nitrobenzene
CID 64995464

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene?
The IUPAC name of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene (CID 106440888) is 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene.
What is the SMILES notation for 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene?
The canonical SMILES for 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene is C/C(=C/Cl)COc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene?
The InChIKey is FFEIADIYBAMCHD-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-7(5-11)6-16-8-2-3-10(13(14)15)9(12)4-8/h2-5H,6H2,1H3/b7-5-.
What are the key properties of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene?
4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene has a molecular weight of 245.64 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene is sourced from PubChem (CID 106440888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).