16,16,16-trifluorohexadec-1-yne

C16H27F3 — CID 102581586

IUPAC16,16,16-trifluorohexadec-1-yne
SMILESC#CCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C16H27F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,18)19/h1H,3-15H2
InChIKeyBSODPPYRBMVAES-UHFFFAOYSA-N
MW276.39 g/mol
LogP6.25
Rot. Bonds12

About 16,16,16-trifluorohexadec-1-yne

16,16,16-trifluorohexadec-1-yne (PubChem CID 102581586) has the molecular formula C16H27F3 and a molecular weight of 276.39 g/mol. Its IUPAC name is 16,16,16-trifluorohexadec-1-yne.

Molecular Properties

Compound Name16,16,16-trifluorohexadec-1-yne
PubChem CID102581586
Molecular FormulaC16H27F3
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name16,16,16-trifluorohexadec-1-yne
SMILESC#CCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C16H27F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,18)19/h1H,3-15H2
InChIKeyBSODPPYRBMVAES-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.39
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 16,16,16-trifluorohexadec-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
N-(3,3,3-trifluoropropyl)hex-5-yn-1-amine
CID 106211547
9,9-dimethyldec-1-yne
CID 169300385
2-fluoro-2-(3,3,3-trifluoropropylsulfanyl)oct-7-ynamide
CID 59378481
8-fluorooct-1-yne
CID 9854
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
1,1,1,10-tetrafluorodecane
CID 150433562
1,1,1-trifluorooct-7-yn-4-amine
CID 79953010
1,1,1-trifluorohexadecane
CID 15685316
hexadec-15-yn-1-ol
CID 10922615
10,10,10-trifluorodecan-1-amine
CID 151642080

Frequently Asked Questions

What is the IUPAC name of 16,16,16-trifluorohexadec-1-yne?
The IUPAC name of 16,16,16-trifluorohexadec-1-yne (CID 102581586) is 16,16,16-trifluorohexadec-1-yne.
What is the SMILES notation for 16,16,16-trifluorohexadec-1-yne?
The canonical SMILES for 16,16,16-trifluorohexadec-1-yne is C#CCCCCCCCCCCCCCC(F)(F)F.
What is the InChIKey of 16,16,16-trifluorohexadec-1-yne?
The InChIKey is BSODPPYRBMVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,18)19/h1H,3-15H2.
What are the key properties of 16,16,16-trifluorohexadec-1-yne?
16,16,16-trifluorohexadec-1-yne has a molecular weight of 276.39 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,16-trifluorohexadec-1-yne is sourced from PubChem (CID 102581586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).