7-(3,3,3-trifluoropropyl)tridecane

C16H31F3 — CID 126695367

IUPAC7-(3,3,3-trifluoropropyl)tridecane
SMILESCCCCCCC(CCCCCC)CCC(F)(F)F
InChIInChI=1S/C16H31F3/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-14-16(17,18)19/h15H,3-14H2,1-2H3
InChIKeyULVFCLKSPKVPHR-UHFFFAOYSA-N
MW280.42 g/mol
LogP6.89
Rot. Bonds12

About 7-(3,3,3-trifluoropropyl)tridecane

7-(3,3,3-trifluoropropyl)tridecane (PubChem CID 126695367) has the molecular formula C16H31F3 and a molecular weight of 280.42 g/mol. Its IUPAC name is 7-(3,3,3-trifluoropropyl)tridecane.

Molecular Properties

Compound Name7-(3,3,3-trifluoropropyl)tridecane
PubChem CID126695367
Molecular FormulaC16H31F3
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name7-(3,3,3-trifluoropropyl)tridecane
SMILESCCCCCCC(CCCCCC)CCC(F)(F)F
InChIInChI=1S/C16H31F3/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-14-16(17,18)19/h15H,3-14H2,1-2H3
InChIKeyULVFCLKSPKVPHR-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 56.89
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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Related Compounds

6-(3,3,4,4,4-pentafluorobutyl)dodecane
CID 126695237
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104

Frequently Asked Questions

What is the IUPAC name of 7-(3,3,3-trifluoropropyl)tridecane?
The IUPAC name of 7-(3,3,3-trifluoropropyl)tridecane (CID 126695367) is 7-(3,3,3-trifluoropropyl)tridecane.
What is the SMILES notation for 7-(3,3,3-trifluoropropyl)tridecane?
The canonical SMILES for 7-(3,3,3-trifluoropropyl)tridecane is CCCCCCC(CCCCCC)CCC(F)(F)F.
What is the InChIKey of 7-(3,3,3-trifluoropropyl)tridecane?
The InChIKey is ULVFCLKSPKVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-14-16(17,18)19/h15H,3-14H2,1-2H3.
What are the key properties of 7-(3,3,3-trifluoropropyl)tridecane?
7-(3,3,3-trifluoropropyl)tridecane has a molecular weight of 280.42 g/mol, XLogP of 6.89, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3,3-trifluoropropyl)tridecane is sourced from PubChem (CID 126695367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).