1,1,1-trifluoro-11,11-dipropyltetradecane

C20H39F3 — CID 160800982

IUPAC1,1,1-trifluoro-11,11-dipropyltetradecane
SMILESCCCC(CCC)(CCC)CCCCCCCCCC(F)(F)F
InChIInChI=1S/C20H39F3/c1-4-14-19(15-5-2,16-6-3)17-12-10-8-7-9-11-13-18-20(21,22)23/h4-18H2,1-3H3
InChIKeySDBIUFJVBKGJGQ-UHFFFAOYSA-N
MW336.53 g/mol
LogP8.45
Rot. Bonds15

About 1,1,1-trifluoro-11,11-dipropyltetradecane

1,1,1-trifluoro-11,11-dipropyltetradecane (PubChem CID 160800982) has the molecular formula C20H39F3 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1,1,1-trifluoro-11,11-dipropyltetradecane.

Molecular Properties

Compound Name1,1,1-trifluoro-11,11-dipropyltetradecane
PubChem CID160800982
Molecular FormulaC20H39F3
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC Name1,1,1-trifluoro-11,11-dipropyltetradecane
SMILESCCCC(CCC)(CCC)CCCCCCCCCC(F)(F)F
InChIInChI=1S/C20H39F3/c1-4-14-19(15-5-2,16-6-3)17-12-10-8-7-9-11-13-18-20(21,22)23/h4-18H2,1-3H3
InChIKeySDBIUFJVBKGJGQ-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
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 1,1,1-trifluoro-11,11-dipropyltetradecane?
The IUPAC name of 1,1,1-trifluoro-11,11-dipropyltetradecane (CID 160800982) is 1,1,1-trifluoro-11,11-dipropyltetradecane.
What is the SMILES notation for 1,1,1-trifluoro-11,11-dipropyltetradecane?
The canonical SMILES for 1,1,1-trifluoro-11,11-dipropyltetradecane is CCCC(CCC)(CCC)CCCCCCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-11,11-dipropyltetradecane?
The InChIKey is SDBIUFJVBKGJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F3/c1-4-14-19(15-5-2,16-6-3)17-12-10-8-7-9-11-13-18-20(21,22)23/h4-18H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-11,11-dipropyltetradecane?
1,1,1-trifluoro-11,11-dipropyltetradecane has a molecular weight of 336.53 g/mol, XLogP of 8.45, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-11,11-dipropyltetradecane is sourced from PubChem (CID 160800982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).