2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane

C11H13F11O — CID 130418426

IUPAC2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane
SMILESCC(OC(C)C(F)(C(C)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-4(12)8(14,11(20,21)22)5(2)23-6(3)9(15,16)7(13)10(17,18)19/h4-7H,1-3H3
InChIKeyFLCKSCQZHJNUCI-UHFFFAOYSA-N
MW370.20 g/mol
LogP4.94
Rot. Bonds6

About 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane

2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane (PubChem CID 130418426) has the molecular formula C11H13F11O and a molecular weight of 370.20 g/mol. Its IUPAC name is 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane
PubChem CID130418426
Molecular FormulaC11H13F11O
Molecular Weight370.20 g/mol
Exact Mass370.08
IUPAC Name2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane
SMILESCC(OC(C)C(F)(C(C)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-4(12)8(14,11(20,21)22)5(2)23-6(3)9(15,16)7(13)10(17,18)19/h4-7H,1-3H3
InChIKeyFLCKSCQZHJNUCI-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane 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-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418410
4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
CID 130418403
N,1,2,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methylbutan-1-amine
CID 137474495
N,1,1,1,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methylpentan-2-amine
CID 137474496
1-fluoro-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine
CID 137474645
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
3,3,4,5,5,5-hexafluoropentan-2-ol
CID 2775019
(2R)-1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 97291102
2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane
CID 141059311
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane
CID 175408970

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane?
The IUPAC name of 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane (CID 130418426) is 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane.
What is the SMILES notation for 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane?
The canonical SMILES for 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane is CC(OC(C)C(F)(C(C)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane?
The InChIKey is FLCKSCQZHJNUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11O/c1-4(12)8(14,11(20,21)22)5(2)23-6(3)9(15,16)7(13)10(17,18)19/h4-7H,1-3H3.
What are the key properties of 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane?
2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane has a molecular weight of 370.20 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane is sourced from PubChem (CID 130418426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).