1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane

C18H33FO — CID 54151719

IUPAC1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCCC(OCCCF)C2)CC1
InChIInChI=1S/C18H33FO/c1-2-5-15-8-10-16(11-9-15)17-6-3-7-18(14-17)20-13-4-12-19/h15-18H,2-14H2,1H3
InChIKeyOIFBEVWBTAQNHM-UHFFFAOYSA-N
MW284.46 g/mol
LogP5.53
Rot. Bonds7

About 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane

1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane (PubChem CID 54151719) has the molecular formula C18H33FO and a molecular weight of 284.46 g/mol. Its IUPAC name is 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane
PubChem CID54151719
Molecular FormulaC18H33FO
Molecular Weight284.46 g/mol
Exact Mass284.25
IUPAC Name1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCCC(OCCCF)C2)CC1
InChIInChI=1S/C18H33FO/c1-2-5-15-8-10-16(11-9-15)17-6-3-7-18(14-17)20-13-4-12-19/h15-18H,2-14H2,1H3
InChIKeyOIFBEVWBTAQNHM-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane (CID 54151719) is 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCCC(OCCCF)C2)CC1.
What is the InChIKey of 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane?
The InChIKey is OIFBEVWBTAQNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FO/c1-2-5-15-8-10-16(11-9-15)17-6-3-7-18(14-17)20-13-4-12-19/h15-18H,2-14H2,1H3.
What are the key properties of 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane?
1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane has a molecular weight of 284.46 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropoxy)-3-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 54151719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).