9-(trifluoromethyl)octadecane

C19H37F3 — CID 89253397

IUPAC9-(trifluoromethyl)octadecane
SMILESCCCCCCCCCC(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C19H37F3/c1-3-5-7-9-11-13-15-17-18(19(20,21)22)16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3
InChIKeyFVFIAUHUKHASTK-UHFFFAOYSA-N
MW322.50 g/mol
LogP8.06
Rot. Bonds15

About 9-(trifluoromethyl)octadecane

9-(trifluoromethyl)octadecane (PubChem CID 89253397) has the molecular formula C19H37F3 and a molecular weight of 322.50 g/mol. Its IUPAC name is 9-(trifluoromethyl)octadecane.

Molecular Properties

Compound Name9-(trifluoromethyl)octadecane
PubChem CID89253397
Molecular FormulaC19H37F3
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name9-(trifluoromethyl)octadecane
SMILESCCCCCCCCCC(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C19H37F3/c1-3-5-7-9-11-13-15-17-18(19(20,21)22)16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3
InChIKeyFVFIAUHUKHASTK-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 58.06
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

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
6-Propyltridecane
CID 521567
3-Methylpentadecane
CID 17899
2,6,10-Trimethylpentadecane
CID 19775
7-Methylheptadecane
CID 30398
3-Methylheptadecane
CID 94321
Crocetane
CID 136331
Heptadecane, 5-methyl-
CID 185593
3-Methylheneicosane
CID 522120
5-Propyltridecane
CID 41310

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)octadecane?
The IUPAC name of 9-(trifluoromethyl)octadecane (CID 89253397) is 9-(trifluoromethyl)octadecane.
What is the SMILES notation for 9-(trifluoromethyl)octadecane?
The canonical SMILES for 9-(trifluoromethyl)octadecane is CCCCCCCCCC(CCCCCCCC)C(F)(F)F.
What is the InChIKey of 9-(trifluoromethyl)octadecane?
The InChIKey is FVFIAUHUKHASTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F3/c1-3-5-7-9-11-13-15-17-18(19(20,21)22)16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3.
What are the key properties of 9-(trifluoromethyl)octadecane?
9-(trifluoromethyl)octadecane has a molecular weight of 322.50 g/mol, XLogP of 8.06, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)octadecane is sourced from PubChem (CID 89253397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).