1,1-difluoro-10-(trifluoromethylperoxy)decane

C11H19F5O2 — CID 151870662

IUPAC1,1-difluoro-10-(trifluoromethylperoxy)decane
SMILESFC(F)CCCCCCCCCOOC(F)(F)F
InChIInChI=1S/C11H19F5O2/c12-10(13)8-6-4-2-1-3-5-7-9-17-18-11(14,15)16/h10H,1-9H2
InChIKeySMPPHYUUJXNSQB-UHFFFAOYSA-N
MW278.26 g/mol
LogP4.84
Rot. Bonds11

About 1,1-difluoro-10-(trifluoromethylperoxy)decane

1,1-difluoro-10-(trifluoromethylperoxy)decane (PubChem CID 151870662) has the molecular formula C11H19F5O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1,1-difluoro-10-(trifluoromethylperoxy)decane.

Molecular Properties

Compound Name1,1-difluoro-10-(trifluoromethylperoxy)decane
PubChem CID151870662
Molecular FormulaC11H19F5O2
Molecular Weight278.26 g/mol
Exact Mass278.13
IUPAC Name1,1-difluoro-10-(trifluoromethylperoxy)decane
SMILESFC(F)CCCCCCCCCOOC(F)(F)F
InChIInChI=1S/C11H19F5O2/c12-10(13)8-6-4-2-1-3-5-7-9-17-18-11(14,15)16/h10H,1-9H2
InChIKeySMPPHYUUJXNSQB-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,1-difluoro-10-(trifluoromethylperoxy)decane 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

1,1-difluoro-10-(trifluoromethoxymethoxy)decane
CID 150180569
1,1,7,7-tetrafluoroheptane
CID 87478513
1,1-difluoro-6,6-dimethylheptane
CID 162546967
1,6-bis(2-methylpentan-2-ylperoxy)hexane;hexane
CID 174921786
1-tert-butylperoxyhexane;sulfino hydrogen sulfite
CID 175112722
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132
1-tert-butylperoxy-10,10-dimethylundecane
CID 150329885
1-tert-butylperoxy-4-methylpentane
CID 154132694
1-ethylperoxy-14-methylpentadecane
CID 175001574
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-10-(trifluoromethylperoxy)decane?
The IUPAC name of 1,1-difluoro-10-(trifluoromethylperoxy)decane (CID 151870662) is 1,1-difluoro-10-(trifluoromethylperoxy)decane.
What is the SMILES notation for 1,1-difluoro-10-(trifluoromethylperoxy)decane?
The canonical SMILES for 1,1-difluoro-10-(trifluoromethylperoxy)decane is FC(F)CCCCCCCCCOOC(F)(F)F.
What is the InChIKey of 1,1-difluoro-10-(trifluoromethylperoxy)decane?
The InChIKey is SMPPHYUUJXNSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F5O2/c12-10(13)8-6-4-2-1-3-5-7-9-17-18-11(14,15)16/h10H,1-9H2.
What are the key properties of 1,1-difluoro-10-(trifluoromethylperoxy)decane?
1,1-difluoro-10-(trifluoromethylperoxy)decane has a molecular weight of 278.26 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-10-(trifluoromethylperoxy)decane is sourced from PubChem (CID 151870662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).