1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol

C13H16FNO4 — CID 65213300

IUPAC1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(F)cc1OCC1(O)CCCCC1
InChIInChI=1S/C13H16FNO4/c14-10-4-5-11(15(17)18)12(8-10)19-9-13(16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2
InChIKeyKFBNWMWJROGPHN-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.81
Rot. Bonds4

About 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol

1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol (PubChem CID 65213300) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
PubChem CID65213300
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(F)cc1OCC1(O)CCCCC1
InChIInChI=1S/C13H16FNO4/c14-10-4-5-11(15(17)18)12(8-10)19-9-13(16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2
InChIKeyKFBNWMWJROGPHN-UHFFFAOYSA-N
XLogP2.81
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(2,5-difluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213354
1-[[5-(methylaminomethyl)-2-nitrophenoxy]methyl]cyclohexan-1-ol
CID 65208374
4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
CID 81041016
1-[(2-fluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213546
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
1-[(5-fluoro-2-nitroanilino)methyl]cycloheptan-1-ol
CID 65122641
1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 65110529
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
4-[(1-hydroxycyclohexyl)methoxy]-3-nitrobenzoic acid
CID 65213761
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid
CID 103272433
1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
CID 79004928

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol (CID 65213300) is 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol is O=[N+]([O-])c1ccc(F)cc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol?
The InChIKey is KFBNWMWJROGPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-10-4-5-11(15(17)18)12(8-10)19-9-13(16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol?
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol has a molecular weight of 269.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).