9-(trifluoromethyl)nonadecane

C20H39F3 — CID 56986122

IUPAC9-(trifluoromethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C20H39F3/c1-3-5-7-9-11-12-14-16-18-19(20(21,22)23)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3
InChIKeyQNXOXWIHOXKLIJ-UHFFFAOYSA-N
MW336.53 g/mol
LogP8.45
Rot. Bonds16

About 9-(trifluoromethyl)nonadecane

9-(trifluoromethyl)nonadecane (PubChem CID 56986122) has the molecular formula C20H39F3 and a molecular weight of 336.53 g/mol. Its IUPAC name is 9-(trifluoromethyl)nonadecane.

Molecular Properties

Compound Name9-(trifluoromethyl)nonadecane
PubChem CID56986122
Molecular FormulaC20H39F3
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC Name9-(trifluoromethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C20H39F3/c1-3-5-7-9-11-12-14-16-18-19(20(21,22)23)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3
InChIKeyQNXOXWIHOXKLIJ-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.53
LogP ≤ 58.45
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 9-(trifluoromethyl)nonadecane?
The IUPAC name of 9-(trifluoromethyl)nonadecane (CID 56986122) is 9-(trifluoromethyl)nonadecane.
What is the SMILES notation for 9-(trifluoromethyl)nonadecane?
The canonical SMILES for 9-(trifluoromethyl)nonadecane is CCCCCCCCCCC(CCCCCCCC)C(F)(F)F.
What is the InChIKey of 9-(trifluoromethyl)nonadecane?
The InChIKey is QNXOXWIHOXKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F3/c1-3-5-7-9-11-12-14-16-18-19(20(21,22)23)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3.
What are the key properties of 9-(trifluoromethyl)nonadecane?
9-(trifluoromethyl)nonadecane has a molecular weight of 336.53 g/mol, XLogP of 8.45, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)nonadecane is sourced from PubChem (CID 56986122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).