1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane

C26H47F — CID 19352386

IUPAC1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCC1CCC(C2CCC(CCC3CCC(CCCF)CC3)CC2)CC1
InChIInChI=1S/C26H47F/c1-2-4-21-12-16-25(17-13-21)26-18-14-24(15-19-26)11-10-23-8-6-22(7-9-23)5-3-20-27/h21-26H,2-20H2,1H3
InChIKeyHAYTZSUVQGLJOC-UHFFFAOYSA-N
MW378.66 g/mol
LogP8.74
Rot. Bonds9

About 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane

1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 19352386) has the molecular formula C26H47F and a molecular weight of 378.66 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane
PubChem CID19352386
Molecular FormulaC26H47F
Molecular Weight378.66 g/mol
Exact Mass378.37
IUPAC Name1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCC1CCC(C2CCC(CCC3CCC(CCCF)CC3)CC2)CC1
InChIInChI=1S/C26H47F/c1-2-4-21-12-16-25(17-13-21)26-18-14-24(15-19-26)11-10-23-8-6-22(7-9-23)5-3-20-27/h21-26H,2-20H2,1H3
InChIKeyHAYTZSUVQGLJOC-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.66
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane (CID 19352386) is 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane is CCCC1CCC(C2CCC(CCC3CCC(CCCF)CC3)CC2)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is HAYTZSUVQGLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47F/c1-2-4-21-12-16-25(17-13-21)26-18-14-24(15-19-26)11-10-23-8-6-22(7-9-23)5-3-20-27/h21-26H,2-20H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 378.66 g/mol, XLogP of 8.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19352386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).