1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane

C19H25F3 — CID 134447912

IUPAC1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
SMILESFc1cc(C2CCCC(C3CCCCC3)CC2)cc(F)c1F
InChIInChI=1S/C19H25F3/c20-17-11-16(12-18(21)19(17)22)15-8-4-7-14(9-10-15)13-5-2-1-3-6-13/h11-15H,1-10H2
InChIKeyJSWMZEPGGJXKQL-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.35
Rot. Bonds2

About 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane

1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane (PubChem CID 134447912) has the molecular formula C19H25F3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
PubChem CID134447912
Molecular FormulaC19H25F3
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
SMILESFc1cc(C2CCCC(C3CCCCC3)CC2)cc(F)c1F
InChIInChI=1S/C19H25F3/c20-17-11-16(12-18(21)19(17)22)15-8-4-7-14(9-10-15)13-5-2-1-3-6-13/h11-15H,1-10H2
InChIKeyJSWMZEPGGJXKQL-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.35
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

1-chloro-4-(4-cyclohexylcyclohexyl)benzene;5-(4-cyclohexylcyclohexyl)-1,2,3-trifluorobenzene
CID 144554072
4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
CID 152934815
5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060
5-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 118283125
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
4-cyclooctyl-2,6-difluorophenol
CID 151133055
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
8-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 58609061
1,3,5-tricyclopentylbenzene
CID 611596
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane?
The IUPAC name of 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane (CID 134447912) is 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane.
What is the SMILES notation for 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane?
The canonical SMILES for 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane is Fc1cc(C2CCCC(C3CCCCC3)CC2)cc(F)c1F.
What is the InChIKey of 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane?
The InChIKey is JSWMZEPGGJXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3/c20-17-11-16(12-18(21)19(17)22)15-8-4-7-14(9-10-15)13-5-2-1-3-6-13/h11-15H,1-10H2.
What are the key properties of 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane?
1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane has a molecular weight of 310.40 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane is sourced from PubChem (CID 134447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).