1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol

C15H22F2O — CID 141308044

IUPAC1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
SMILESCCCC1CCC(C2=CC=CC(O)(F)C2F)CC1
InChIInChI=1S/C15H22F2O/c1-2-4-11-6-8-12(9-7-11)13-5-3-10-15(17,18)14(13)16/h3,5,10-12,14,18H,2,4,6-9H2,1H3
InChIKeyGJYNNODQROZUJM-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.09
Rot. Bonds3

About 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol

1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol (PubChem CID 141308044) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
PubChem CID141308044
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
SMILESCCCC1CCC(C2=CC=CC(O)(F)C2F)CC1
InChIInChI=1S/C15H22F2O/c1-2-4-11-6-8-12(9-7-11)13-5-3-10-15(17,18)14(13)16/h3,5,10-12,14,18H,2,4,6-9H2,1H3
InChIKeyGJYNNODQROZUJM-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol (CID 141308044) is 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol is CCCC1CCC(C2=CC=CC(O)(F)C2F)CC1.
What is the InChIKey of 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is GJYNNODQROZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-2-4-11-6-8-12(9-7-11)13-5-3-10-15(17,18)14(13)16/h3,5,10-12,14,18H,2,4,6-9H2,1H3.
What are the key properties of 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 256.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141308044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).