1-chloro-3-fluorobenzene;ethane

C8H10ClF — CID 142804083

IUPAC1-chloro-3-fluorobenzene;ethane
SMILESCC.Fc1cccc(Cl)c1
InChIInChI=1S/C6H4ClF.C2H6/c7-5-2-1-3-6(8)4-5;1-2/h1-4H;1-2H3
InChIKeyKGUKAEDELFEORZ-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.51
Rot. Bonds

About 1-chloro-3-fluorobenzene;ethane

1-chloro-3-fluorobenzene;ethane (PubChem CID 142804083) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 1-chloro-3-fluorobenzene;ethane.

Molecular Properties

Compound Name1-chloro-3-fluorobenzene;ethane
PubChem CID142804083
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name1-chloro-3-fluorobenzene;ethane
SMILESCC.Fc1cccc(Cl)c1
InChIInChI=1S/C6H4ClF.C2H6/c7-5-2-1-3-6(8)4-5;1-2/h1-4H;1-2H3
InChIKeyKGUKAEDELFEORZ-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
ethane;1-fluoro-3-methylbenzene
CID 123790085
1,3-difluorobenzene;methanol
CID 144994633
tris(1-chloro-3-methylbenzene);ethane
CID 143147725
1-chloro-3-methylbenzene;ethane
CID 123907748
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
CID 142746924
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluorobenzene;ethane?
The IUPAC name of 1-chloro-3-fluorobenzene;ethane (CID 142804083) is 1-chloro-3-fluorobenzene;ethane.
What is the SMILES notation for 1-chloro-3-fluorobenzene;ethane?
The canonical SMILES for 1-chloro-3-fluorobenzene;ethane is CC.Fc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-fluorobenzene;ethane?
The InChIKey is KGUKAEDELFEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF.C2H6/c7-5-2-1-3-6(8)4-5;1-2/h1-4H;1-2H3.
What are the key properties of 1-chloro-3-fluorobenzene;ethane?
1-chloro-3-fluorobenzene;ethane has a molecular weight of 160.62 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluorobenzene;ethane is sourced from PubChem (CID 142804083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).