5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol

C14H16F2O — CID 142878399

IUPAC5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol
SMILESCCCCc1cccc(O)c(F)cc(F)cc1
InChIInChI=1S/C14H16F2O/c1-2-3-5-11-6-4-7-14(17)13(16)10-12(15)9-8-11/h4,6-10,17H,2-3,5H2,1H3/b6-4-,7-4-,9-8-,11-6+,11-8+,12-9+,12-10+,13-10-,14-7+,14-13+
InChIKeyZNMWVUZPWKHHQD-RNEYFJFUSA-N
MW238.28 g/mol
LogP4.14
Rot. Bonds3

About 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol

5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol (PubChem CID 142878399) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol.

Molecular Properties

Compound Name5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol
PubChem CID142878399
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol
SMILESCCCCc1cccc(O)c(F)cc(F)cc1
InChIInChI=1S/C14H16F2O/c1-2-3-5-11-6-4-7-14(17)13(16)10-12(15)9-8-11/h4,6-10,17H,2-3,5H2,1H3/b6-4-,7-4-,9-8-,11-6+,11-8+,12-9+,12-10+,13-10-,14-7+,14-13+
InChIKeyZNMWVUZPWKHHQD-RNEYFJFUSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol?
The IUPAC name of 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol (CID 142878399) is 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol.
What is the SMILES notation for 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol?
The canonical SMILES for 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol is CCCCc1cccc(O)c(F)cc(F)cc1.
What is the InChIKey of 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol?
The InChIKey is ZNMWVUZPWKHHQD-RNEYFJFUSA-N. The full InChI is InChI=1S/C14H16F2O/c1-2-3-5-11-6-4-7-14(17)13(16)10-12(15)9-8-11/h4,6-10,17H,2-3,5H2,1H3/b6-4-,7-4-,9-8-,11-6+,11-8+,12-9+,12-10+,13-10-,14-7+,14-13+.
What are the key properties of 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol?
5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol has a molecular weight of 238.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol is sourced from PubChem (CID 142878399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).