4-chloro-2-(fluoromethyl)-1-methoxybenzene

C8H8ClFO — CID 142810663

IUPAC4-chloro-2-(fluoromethyl)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CF
InChIInChI=1S/C8H8ClFO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5H2,1H3
InChIKeyATTOZVOKRCMCRB-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.82
Rot. Bonds2

About 4-chloro-2-(fluoromethyl)-1-methoxybenzene

4-chloro-2-(fluoromethyl)-1-methoxybenzene (PubChem CID 142810663) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 4-chloro-2-(fluoromethyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(fluoromethyl)-1-methoxybenzene
PubChem CID142810663
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name4-chloro-2-(fluoromethyl)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CF
InChIInChI=1S/C8H8ClFO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5H2,1H3
InChIKeyATTOZVOKRCMCRB-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
1-(5-chloro-2-methoxyphenyl)-4,4,4-trifluorobutan-2-one
CID 62620064
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
2-[(5-chloro-2-methoxyphenyl)methyl]guanidine
CID 82284451
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(fluoromethyl)-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(fluoromethyl)-1-methoxybenzene (CID 142810663) is 4-chloro-2-(fluoromethyl)-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(fluoromethyl)-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(fluoromethyl)-1-methoxybenzene is COc1ccc(Cl)cc1CF.
What is the InChIKey of 4-chloro-2-(fluoromethyl)-1-methoxybenzene?
The InChIKey is ATTOZVOKRCMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-2-(fluoromethyl)-1-methoxybenzene?
4-chloro-2-(fluoromethyl)-1-methoxybenzene has a molecular weight of 174.60 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(fluoromethyl)-1-methoxybenzene is sourced from PubChem (CID 142810663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).