(2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol

C10H9F13O2 — CID 89311443

IUPAC(2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(C)(OC(F)(F)C(F)(F)C(F)(F)F)[C@@](F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F13O2/c1-3-4(2,5(11,7(14,15)16)9(20,21)24)25-10(22,23)6(12,13)8(17,18)19/h24H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyZQHLFYZNVQKHHU-AKGZTFGVSA-N
MW408.15 g/mol
LogP4.82
Rot. Bonds6

About (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol

(2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol (PubChem CID 89311443) has the molecular formula C10H9F13O2 and a molecular weight of 408.15 g/mol. Its IUPAC name is (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name(2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol
PubChem CID89311443
Molecular FormulaC10H9F13O2
Molecular Weight408.15 g/mol
Exact Mass408.04
IUPAC Name(2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(C)(OC(F)(F)C(F)(F)C(F)(F)F)[C@@](F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F13O2/c1-3-4(2,5(11,7(14,15)16)9(20,21)24)25-10(22,23)6(12,13)8(17,18)19/h24H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyZQHLFYZNVQKHHU-AKGZTFGVSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.15
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2,4-dimethyl-4-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxypentan-2-ol
CID 58205905
1,1,1,3,3-Pentafluoro-2,4-dimethylhexane-2,4-diol
CID 58589806
2-[Difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88557571
2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol
CID 88869338
3-(Difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol
CID 89196346
2-[Difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol
CID 89339703
2-Fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol
CID 117848988
1-[2,2-Difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
CID 118549273
(3S)-2-[difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)methyl]-1,1,1-trifluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)pentane
CID 121290378
2-[Difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane
CID 121480976
(2R)-1,1,2-trifluoro-3-methyl-3-(1,1,1,2-tetrafluoropropan-2-yloxy)-2-(trifluoromethyl)butan-1-ol
CID 124120510
1,1,2-Trifluoro-3-methyl-2-(trifluoromethyl)pentane-1,3-diol
CID 126547487

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol (CID 89311443) is (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol is CCC(C)(OC(F)(F)C(F)(F)C(F)(F)F)[C@@](F)(C(O)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is ZQHLFYZNVQKHHU-AKGZTFGVSA-N. The full InChI is InChI=1S/C10H9F13O2/c1-3-4(2,5(11,7(14,15)16)9(20,21)24)25-10(22,23)6(12,13)8(17,18)19/h24H,3H2,1-2H3/t4?,5-/m0/s1.
What are the key properties of (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol?
(2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 408.15 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,2-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-methyl-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 89311443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).