4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene

C14H18BrFO — CID 63458710

IUPAC4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
SMILESCC1CCCC(OCc2ccc(Br)cc2F)C1
InChIInChI=1S/C14H18BrFO/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(15)8-14(11)16/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyYBEFCIOBSWVOAY-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.68
Rot. Bonds3

About 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene

4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene (PubChem CID 63458710) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
PubChem CID63458710
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
SMILESCC1CCCC(OCc2ccc(Br)cc2F)C1
InChIInChI=1S/C14H18BrFO/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(15)8-14(11)16/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyYBEFCIOBSWVOAY-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691
3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
CID 79466114
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
CID 104809801
4-chloro-2-[(3-methylcyclohexyl)oxymethyl]aniline
CID 79582982
methyl 3-bromo-4-[(3-methylcyclohexyl)oxymethyl]benzoate
CID 102765436
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854
4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
5-bromo-2-[(3,4-dimethylcyclohexyl)oxymethyl]aniline
CID 114380858
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene (CID 63458710) is 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene is CC1CCCC(OCc2ccc(Br)cc2F)C1.
What is the InChIKey of 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene?
The InChIKey is YBEFCIOBSWVOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(15)8-14(11)16/h5-6,8,10,13H,2-4,7,9H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene?
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene has a molecular weight of 301.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene is sourced from PubChem (CID 63458710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).