1,1,1-trifluorohexadecane

C16H31F3 — CID 15685316

IUPAC1,1,1-trifluorohexadecane
SMILESCCCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C16H31F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,18)19/h2-15H2,1H3
InChIKeyCCHSBYTWTBIDLD-UHFFFAOYSA-N
MW280.42 g/mol
LogP7.03
Rot. Bonds13

About 1,1,1-trifluorohexadecane

1,1,1-trifluorohexadecane (PubChem CID 15685316) has the molecular formula C16H31F3 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1,1,1-trifluorohexadecane.

Molecular Properties

Compound Name1,1,1-trifluorohexadecane
PubChem CID15685316
Molecular FormulaC16H31F3
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name1,1,1-trifluorohexadecane
SMILESCCCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C16H31F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,18)19/h2-15H2,1H3
InChIKeyCCHSBYTWTBIDLD-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 57.03
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

1,1,1,7,7-pentafluoroheptadecane
CID 54180623
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
iron(3+);1,1,1-trifluoropentane
CID 161198772
1,1,1-trifluoro-11,11-dipropyltetradecane
CID 160800982
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
9-fluoropentacosan-9-ol
CID 139794548
1,1,1,2,2-pentafluorononadecane
CID 98452406
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
6-butyl-6-fluoroundecane
CID 11424735
1,1,1-trifluoro-4-methyldecane
CID 147899191
1,1,1-trifluorotetradecan-4-amine
CID 79954086

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohexadecane?
The IUPAC name of 1,1,1-trifluorohexadecane (CID 15685316) is 1,1,1-trifluorohexadecane.
What is the SMILES notation for 1,1,1-trifluorohexadecane?
The canonical SMILES for 1,1,1-trifluorohexadecane is CCCCCCCCCCCCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluorohexadecane?
The InChIKey is CCHSBYTWTBIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,18)19/h2-15H2,1H3.
What are the key properties of 1,1,1-trifluorohexadecane?
1,1,1-trifluorohexadecane has a molecular weight of 280.42 g/mol, XLogP of 7.03, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohexadecane is sourced from PubChem (CID 15685316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).