4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene

C22H30F4 — CID 139880265

IUPAC4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H30F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(23)14-21(20)22(24,25)26/h12-18H,2-11H2,1H3
InChIKeyOHGYFLQVPMZDAW-UHFFFAOYSA-N
MW370.47 g/mol
LogP7.72
Rot. Bonds4

About 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene

4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene (PubChem CID 139880265) has the molecular formula C22H30F4 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
PubChem CID139880265
Molecular FormulaC22H30F4
Molecular Weight370.47 g/mol
Exact Mass370.23
IUPAC Name4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H30F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(23)14-21(20)22(24,25)26/h12-18H,2-11H2,1H3
InChIKeyOHGYFLQVPMZDAW-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene (CID 139880265) is 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene is CCCC1CCC(C2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
The InChIKey is OHGYFLQVPMZDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(23)14-21(20)22(24,25)26/h12-18H,2-11H2,1H3.
What are the key properties of 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene has a molecular weight of 370.47 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 139880265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).