4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene

C13H16FNO3 — CID 118242707

IUPAC4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene
SMILESCO[C@@H]1CCC[C@@H](Oc2cc(F)ccc2N=O)C1
InChIInChI=1S/C13H16FNO3/c1-17-10-3-2-4-11(8-10)18-13-7-9(14)5-6-12(13)15-16/h5-7,10-11H,2-4,8H2,1H3/t10-,11-/m1/s1
InChIKeyVCFFPMQSDOPRGM-GHMZBOCLSA-N
MW253.27 g/mol
LogP3.56
Rot. Bonds4

About 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene

4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene (PubChem CID 118242707) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene.

Molecular Properties

Compound Name4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene
PubChem CID118242707
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene
SMILESCO[C@@H]1CCC[C@@H](Oc2cc(F)ccc2N=O)C1
InChIInChI=1S/C13H16FNO3/c1-17-10-3-2-4-11(8-10)18-13-7-9(14)5-6-12(13)15-16/h5-7,10-11H,2-4,8H2,1H3/t10-,11-/m1/s1
InChIKeyVCFFPMQSDOPRGM-GHMZBOCLSA-N
XLogP3.56
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 107696193
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate
CID 113268638
N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351770
4-N-[4-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 129116341
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene?
The IUPAC name of 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene (CID 118242707) is 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene.
What is the SMILES notation for 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene?
The canonical SMILES for 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene is CO[C@@H]1CCC[C@@H](Oc2cc(F)ccc2N=O)C1.
What is the InChIKey of 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene?
The InChIKey is VCFFPMQSDOPRGM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-10-3-2-4-11(8-10)18-13-7-9(14)5-6-12(13)15-16/h5-7,10-11H,2-4,8H2,1H3/t10-,11-/m1/s1.
What are the key properties of 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene?
4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene has a molecular weight of 253.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene is sourced from PubChem (CID 118242707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).