1,3-difluoro-5-(4-methoxycyclohexyl)benzene

C13H16F2O — CID 174716619

IUPAC1,3-difluoro-5-(4-methoxycyclohexyl)benzene
SMILESCOC1CCC(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2O/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h6-9,13H,2-5H2,1H3
InChIKeyOMVHAWHTGCCCRU-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.64
Rot. Bonds2

About 1,3-difluoro-5-(4-methoxycyclohexyl)benzene

1,3-difluoro-5-(4-methoxycyclohexyl)benzene (PubChem CID 174716619) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methoxycyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methoxycyclohexyl)benzene
PubChem CID174716619
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1,3-difluoro-5-(4-methoxycyclohexyl)benzene
SMILESCOC1CCC(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2O/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h6-9,13H,2-5H2,1H3
InChIKeyOMVHAWHTGCCCRU-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methoxycyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-methoxycyclohexyl)benzene (CID 174716619) is 1,3-difluoro-5-(4-methoxycyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methoxycyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-methoxycyclohexyl)benzene is COC1CCC(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-(4-methoxycyclohexyl)benzene?
The InChIKey is OMVHAWHTGCCCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h6-9,13H,2-5H2,1H3.
What are the key properties of 1,3-difluoro-5-(4-methoxycyclohexyl)benzene?
1,3-difluoro-5-(4-methoxycyclohexyl)benzene has a molecular weight of 226.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methoxycyclohexyl)benzene is sourced from PubChem (CID 174716619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).