[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium

C15H21F2O2+ — CID 142370670

IUPAC[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
SMILESCC1CCC(OCc2ccc(C[OH2+])c(F)c2F)CC1
InChIInChI=1S/C15H20F2O2/c1-10-2-6-13(7-3-10)19-9-12-5-4-11(8-18)14(16)15(12)17/h4-5,10,13,18H,2-3,6-9H2,1H3/p+1
InChIKeyWYVLXCOWEBVFIR-UHFFFAOYSA-O
MW271.33 g/mol
LogP3.28
Rot. Bonds4

About [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium

[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium (PubChem CID 142370670) has the molecular formula C15H21F2O2+ and a molecular weight of 271.33 g/mol. Its IUPAC name is [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium.

Molecular Properties

Compound Name[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
PubChem CID142370670
Molecular FormulaC15H21F2O2+
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
SMILESCC1CCC(OCc2ccc(C[OH2+])c(F)c2F)CC1
InChIInChI=1S/C15H20F2O2/c1-10-2-6-13(7-3-10)19-9-12-5-4-11(8-18)14(16)15(12)17/h4-5,10,13,18H,2-3,6-9H2,1H3/p+1
InChIKeyWYVLXCOWEBVFIR-UHFFFAOYSA-O
XLogP3.28
TPSA32.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
CID 63457702
1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91103793
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene
CID 91374530
3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24692373
1-[[4-(4-decylcyclohexyl)cyclohexyl]oxymethyl]-2,3,4-trifluorobenzene
CID 19030255
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
1-[[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-pentylbenzene
CID 154607202
1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141585

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium?
The IUPAC name of [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium (CID 142370670) is [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium.
What is the SMILES notation for [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium?
The canonical SMILES for [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium is CC1CCC(OCc2ccc(C[OH2+])c(F)c2F)CC1.
What is the InChIKey of [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium?
The InChIKey is WYVLXCOWEBVFIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20F2O2/c1-10-2-6-13(7-3-10)19-9-12-5-4-11(8-18)14(16)15(12)17/h4-5,10,13,18H,2-3,6-9H2,1H3/p+1.
What are the key properties of [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium?
[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium has a molecular weight of 271.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium is sourced from PubChem (CID 142370670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).