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

C13H16F2 — CID 18720773

IUPAC1,3-difluoro-5-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h6-10H,2-5H2,1H3
InChIKeyWXYOLZKLGNSJPX-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.26
Rot. Bonds1

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

1,3-difluoro-5-(4-methylcyclohexyl)benzene (PubChem CID 18720773) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methylcyclohexyl)benzene
PubChem CID18720773
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1,3-difluoro-5-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h6-10H,2-5H2,1H3
InChIKeyWXYOLZKLGNSJPX-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-(4-methoxycyclohexyl)benzene
CID 174716619
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
1,3,5-tricyclopropylbenzene
CID 13056331
1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
CID 18720860
1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
CID 18720868
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337
1-(3-cyclopropyl-5-fluorophenyl)ethanethione
CID 166817161
3-(3,5-difluorophenyl)-5-methylpiperidine
CID 115375231
3-(3,5-difluorophenyl)cyclopentan-1-amine
CID 64503877
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-methylcyclohexyl)benzene (CID 18720773) is 1,3-difluoro-5-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-methylcyclohexyl)benzene is CC1CCC(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-(4-methylcyclohexyl)benzene?
The InChIKey is WXYOLZKLGNSJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h6-10H,2-5H2,1H3.
What are the key properties of 1,3-difluoro-5-(4-methylcyclohexyl)benzene?
1,3-difluoro-5-(4-methylcyclohexyl)benzene has a molecular weight of 210.27 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 18720773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).