1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene

C10H9F2NO3 — CID 67453576

IUPAC1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCC2CC2(F)F)cc1
InChIInChI=1S/C10H9F2NO3/c11-10(12)5-7(10)6-16-9-3-1-8(2-4-9)13(14)15/h1-4,7H,5-6H2
InChIKeyGTMOHYPGJLKWRU-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.63
Rot. Bonds4

About 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene

1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene (PubChem CID 67453576) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene
PubChem CID67453576
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCC2CC2(F)F)cc1
InChIInChI=1S/C10H9F2NO3/c11-10(12)5-7(10)6-16-9-3-1-8(2-4-9)13(14)15/h1-4,7H,5-6H2
InChIKeyGTMOHYPGJLKWRU-UHFFFAOYSA-N
XLogP2.63
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.63
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

[(1R)-2,2-difluorocyclopropyl]methyl 4-nitrobenzenesulfonate
CID 86731320
1-[(3,3-dimethoxycyclobutyl)methoxy]-4-nitrobenzene
CID 177362906
cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine
CID 11962957
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
(4S)-4-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 171480946
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
1-(2-chloro-2,2-difluoroethoxy)-4-nitrobenzene
CID 134985893
CID 153008841
CID 153008841
4-nitro-N-[4-(oxan-4-ylmethoxy)phenyl]aniline
CID 133433897

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene (CID 67453576) is 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene is O=[N+]([O-])c1ccc(OCC2CC2(F)F)cc1.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene?
The InChIKey is GTMOHYPGJLKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-10(12)5-7(10)6-16-9-3-1-8(2-4-9)13(14)15/h1-4,7H,5-6H2.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene?
1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene has a molecular weight of 229.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene is sourced from PubChem (CID 67453576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).