(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol

C7H6F10O2 — CID 98117480

IUPAC(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol
SMILESC[C@@](CO)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c1-3(2-18,5(10,11)12)19-7(16,17)4(8,9)6(13,14)15/h18H,2H2,1H3/t3-/m0/s1
InChIKeyKEQUAHCFYVYPMN-VKHMYHEASA-N
MW312.10 g/mol
LogP3.11
Rot. Bonds4

About (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol

(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol (PubChem CID 98117480) has the molecular formula C7H6F10O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol
PubChem CID98117480
Molecular FormulaC7H6F10O2
Molecular Weight312.10 g/mol
Exact Mass312.02
IUPAC Name(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol
SMILESC[C@@](CO)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c1-3(2-18,5(10,11)12)19-7(16,17)4(8,9)6(13,14)15/h18H,2H2,1H3/t3-/m0/s1
InChIKeyKEQUAHCFYVYPMN-VKHMYHEASA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 53.11
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

3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
CID 102380901
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
2,2-difluoro-2-[1,1,2,2-tetrafluoro-3-methyl-1-(3,3,4,4,5,5,6,6,6-nonafluoro-2-methylhexan-2-yl)oxypentan-3-yl]oxyethanol
CID 130331500
1,1,2,2,3,3,4-heptafluoro-4-methyl-1-(1,1,1,2,2-pentafluoro-3-methylpentan-3-yl)oxyhexane
CID 118422545
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethanol
CID 2778631
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
2,2,3,3,4,4,5,5,6,6-decafluoro-6-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethoxy]hexan-1-ol
CID 54468451
(2S,6R)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
CID 99650140
1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
CID 96560026
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoro-3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175714032
4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol
CID 131851868

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol?
The IUPAC name of (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol (CID 98117480) is (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol is C[C@@](CO)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol?
The InChIKey is KEQUAHCFYVYPMN-VKHMYHEASA-N. The full InChI is InChI=1S/C7H6F10O2/c1-3(2-18,5(10,11)12)19-7(16,17)4(8,9)6(13,14)15/h18H,2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol?
(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol has a molecular weight of 312.10 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 98117480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).