CID 59887565

C13H14F3 — CID 59887565

IUPAC—
SMILESCC1CC[C](c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C13H14F3/c1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10/h6-8H,2-5H2,1H3
InChIKeyKKEWYIFPYLFYJZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP4.24
Rot. Bonds1

About CID 59887565

CID 59887565 (PubChem CID 59887565) has the molecular formula C13H14F3 and a molecular weight of 227.25 g/mol.

Molecular Properties

Compound NameCID 59887565
PubChem CID59887565
Molecular FormulaC13H14F3
Molecular Weight227.25 g/mol
Exact Mass227.10
IUPAC Name—
SMILESCC1CC[C](c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C13H14F3/c1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10/h6-8H,2-5H2,1H3
InChIKeyKKEWYIFPYLFYJZ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 59171975
5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine
CID 64689917
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144841355
5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene
CID 126565050
5-methyl-2-[4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane
CID 145172621
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
1,2,3-trifluoro-5-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 163858188
4-(4-methylcyclohexyl)-1-(3,4,5-trifluorophenyl)cyclohexan-1-ol;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 161280092
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methyloxane
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Frequently Asked Questions

What is the IUPAC name of CID 59887565?
The IUPAC name of CID 59887565 (CID 59887565) is not available.
What is the SMILES notation for CID 59887565?
The canonical SMILES for CID 59887565 is CC1CC[C](c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of CID 59887565?
The InChIKey is KKEWYIFPYLFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3/c1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10/h6-8H,2-5H2,1H3.
What are the key properties of CID 59887565?
CID 59887565 has a molecular weight of 227.25 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59887565 is sourced from PubChem (CID 59887565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).