(1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene

C14H19F3 — CID 139457714

IUPAC(1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene
SMILESCCCCC/C1=C/C=C(C(F)(F)F)\C=C/CC1
InChIInChI=1S/C14H19F3/c1-2-3-4-7-12-8-5-6-9-13(11-10-12)14(15,16)17/h6,9-11H,2-5,7-8H2,1H3/b9-6-,12-10-,13-11+
InChIKeyUVVNSFRWYCIOLB-HJGDAREZSA-N
MW244.30 g/mol
LogP5.33
Rot. Bonds4

About (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene

(1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene (PubChem CID 139457714) has the molecular formula C14H19F3 and a molecular weight of 244.30 g/mol. Its IUPAC name is (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene
PubChem CID139457714
Molecular FormulaC14H19F3
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name(1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene
SMILESCCCCC/C1=C/C=C(C(F)(F)F)\C=C/CC1
InChIInChI=1S/C14H19F3/c1-2-3-4-7-12-8-5-6-9-13(11-10-12)14(15,16)17/h6,9-11H,2-5,7-8H2,1H3/b9-6-,12-10-,13-11+
InChIKeyUVVNSFRWYCIOLB-HJGDAREZSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.30
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene?
The IUPAC name of (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene (CID 139457714) is (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene?
The canonical SMILES for (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene is CCCCC/C1=C/C=C(C(F)(F)F)\C=C/CC1.
What is the InChIKey of (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene?
The InChIKey is UVVNSFRWYCIOLB-HJGDAREZSA-N. The full InChI is InChI=1S/C14H19F3/c1-2-3-4-7-12-8-5-6-9-13(11-10-12)14(15,16)17/h6,9-11H,2-5,7-8H2,1H3/b9-6-,12-10-,13-11+.
What are the key properties of (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene?
(1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene has a molecular weight of 244.30 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-1-pentyl-4-(trifluoromethyl)cycloocta-1,3,5-triene is sourced from PubChem (CID 139457714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).