17,17-difluoro-20-propan-2-yloxyicos-1-yne

C23H42F2O — CID 170688854

IUPAC17,17-difluoro-20-propan-2-yloxyicos-1-yne
SMILESC#CCCCCCCCCCCCCCCC(F)(F)CCCOC(C)C
InChIInChI=1S/C23H42F2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(24,25)20-18-21-26-22(2)3/h1,22H,5-21H2,2-3H3
InChIKeyYHHDMWFBCCOMQB-UHFFFAOYSA-N
MW372.58 g/mol
LogP7.92
Rot. Bonds19

About 17,17-difluoro-20-propan-2-yloxyicos-1-yne

17,17-difluoro-20-propan-2-yloxyicos-1-yne (PubChem CID 170688854) has the molecular formula C23H42F2O and a molecular weight of 372.58 g/mol. Its IUPAC name is 17,17-difluoro-20-propan-2-yloxyicos-1-yne.

Molecular Properties

Compound Name17,17-difluoro-20-propan-2-yloxyicos-1-yne
PubChem CID170688854
Molecular FormulaC23H42F2O
Molecular Weight372.58 g/mol
Exact Mass372.32
IUPAC Name17,17-difluoro-20-propan-2-yloxyicos-1-yne
SMILESC#CCCCCCCCCCCCCCCC(F)(F)CCCOC(C)C
InChIInChI=1S/C23H42F2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(24,25)20-18-21-26-22(2)3/h1,22H,5-21H2,2-3H3
InChIKeyYHHDMWFBCCOMQB-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17,17-difluoro-20-propan-2-yloxyicos-1-yne?
The IUPAC name of 17,17-difluoro-20-propan-2-yloxyicos-1-yne (CID 170688854) is 17,17-difluoro-20-propan-2-yloxyicos-1-yne.
What is the SMILES notation for 17,17-difluoro-20-propan-2-yloxyicos-1-yne?
The canonical SMILES for 17,17-difluoro-20-propan-2-yloxyicos-1-yne is C#CCCCCCCCCCCCCCCC(F)(F)CCCOC(C)C.
What is the InChIKey of 17,17-difluoro-20-propan-2-yloxyicos-1-yne?
The InChIKey is YHHDMWFBCCOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42F2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(24,25)20-18-21-26-22(2)3/h1,22H,5-21H2,2-3H3.
What are the key properties of 17,17-difluoro-20-propan-2-yloxyicos-1-yne?
17,17-difluoro-20-propan-2-yloxyicos-1-yne has a molecular weight of 372.58 g/mol, XLogP of 7.92, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-difluoro-20-propan-2-yloxyicos-1-yne is sourced from PubChem (CID 170688854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).