1-chloro-2-fluoro-3-methoxybenzene;methane

C8H10ClFO — CID 142301090

IUPAC1-chloro-2-fluoro-3-methoxybenzene;methane
SMILESC.COc1cccc(Cl)c1F
InChIInChI=1S/C7H6ClFO.CH4/c1-10-6-4-2-3-5(8)7(6)9;/h2-4H,1H3;1H4
InChIKeyFVTHFSOXAQFXDB-UHFFFAOYSA-N
MW176.62 g/mol
LogP3.12
Rot. Bonds1

About 1-chloro-2-fluoro-3-methoxybenzene;methane

1-chloro-2-fluoro-3-methoxybenzene;methane (PubChem CID 142301090) has the molecular formula C8H10ClFO and a molecular weight of 176.62 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-methoxybenzene;methane.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-methoxybenzene;methane
PubChem CID142301090
Molecular FormulaC8H10ClFO
Molecular Weight176.62 g/mol
Exact Mass176.04
IUPAC Name1-chloro-2-fluoro-3-methoxybenzene;methane
SMILESC.COc1cccc(Cl)c1F
InChIInChI=1S/C7H6ClFO.CH4/c1-10-6-4-2-3-5(8)7(6)9;/h2-4H,1H3;1H4
InChIKeyFVTHFSOXAQFXDB-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 116688655
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
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(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
1-chloro-2-methoxybenzene
CID 13011
1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
2-chloro-6-methoxybenzenethiol
CID 91874124
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
(2-chloro-6-methoxyphenyl)-trifluoroboranuide
CID 122199615

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-methoxybenzene;methane?
The IUPAC name of 1-chloro-2-fluoro-3-methoxybenzene;methane (CID 142301090) is 1-chloro-2-fluoro-3-methoxybenzene;methane.
What is the SMILES notation for 1-chloro-2-fluoro-3-methoxybenzene;methane?
The canonical SMILES for 1-chloro-2-fluoro-3-methoxybenzene;methane is C.COc1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-methoxybenzene;methane?
The InChIKey is FVTHFSOXAQFXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO.CH4/c1-10-6-4-2-3-5(8)7(6)9;/h2-4H,1H3;1H4.
What are the key properties of 1-chloro-2-fluoro-3-methoxybenzene;methane?
1-chloro-2-fluoro-3-methoxybenzene;methane has a molecular weight of 176.62 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-methoxybenzene;methane is sourced from PubChem (CID 142301090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).