1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene

C15H20ClFO — CID 18332041

IUPAC1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene
SMILESCCCOC1CCC(c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H20ClFO/c1-2-7-18-15-5-3-11(4-6-15)12-8-13(16)10-14(17)9-12/h8-11,15H,2-7H2,1H3
InChIKeyKTEJQNVAOXLLJL-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.93
Rot. Bonds4

About 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene

1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene (PubChem CID 18332041) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene
PubChem CID18332041
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene
SMILESCCCOC1CCC(c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H20ClFO/c1-2-7-18-15-5-3-11(4-6-15)12-8-13(16)10-14(17)9-12/h8-11,15H,2-7H2,1H3
InChIKeyKTEJQNVAOXLLJL-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloro-3-(5-methoxypentyl)benzene
CID 177647358
2-Chloro-1-fluoro-4-(3-methoxypropyl)benzene
CID 10910600
1-Chloro-3-fluoro-5-(4-propoxycyclohexyl)-2-(trifluoromethyl)benzene
CID 15538324
1-Chloro-3-fluoro-2-iodo-5-(4-propoxycyclohexyl)benzene
CID 18332055
1-Chloro-4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]-2,2-difluoroethyl]-2-fluorobenzene
CID 18344081
1-Chloro-4-[4-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]-2-fluorobenzene
CID 20084033
1-Chloro-2-fluoro-4-[4-[4-(3-propoxypropyl)cyclohexyl]cyclohexyl]benzene
CID 20084041
1-Chloro-2-fluoro-4-[4-(4-methoxybutyl)cyclohexyl]benzene
CID 20084045
1-Chloro-2-fluoro-4-[4-[4-(2-methoxyethyl)cyclohexyl]cyclohexyl]benzene
CID 20084047
1-Chloro-4-[4-(2-ethoxyethyl)cyclohexyl]-2-fluorobenzene
CID 20084057
1-Chloro-4-[4-(3-ethoxypropyl)cyclohexyl]-2-fluorobenzene
CID 20084058
1-Chloro-2-fluoro-4-[4-[4-(4-methoxybutyl)cyclohexyl]cyclohexyl]benzene
CID 20084059

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene (CID 18332041) is 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene is CCCOC1CCC(c2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene?
The InChIKey is KTEJQNVAOXLLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-2-7-18-15-5-3-11(4-6-15)12-8-13(16)10-14(17)9-12/h8-11,15H,2-7H2,1H3.
What are the key properties of 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene?
1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene has a molecular weight of 270.77 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-(4-propoxycyclohexyl)benzene is sourced from PubChem (CID 18332041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).