2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol

C11H17F7O2 — CID 88981378

IUPAC2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol
SMILESCCC(C)COC(C)C(F)(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C11H17F7O2/c1-4-6(2)5-20-7(3)10(14,15)9(19,8(12)13)11(16,17)18/h6-8,19H,4-5H2,1-3H3
InChIKeyQCVCOGSTSWHQRN-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.63
Rot. Bonds7

About 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol

2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol (PubChem CID 88981378) has the molecular formula C11H17F7O2 and a molecular weight of 314.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol
PubChem CID88981378
Molecular FormulaC11H17F7O2
Molecular Weight314.24 g/mol
Exact Mass314.11
IUPAC Name2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol
SMILESCCC(C)COC(C)C(F)(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C11H17F7O2/c1-4-6(2)5-20-7(3)10(14,15)9(19,8(12)13)11(16,17)18/h6-8,19H,4-5H2,1-3H3
InChIKeyQCVCOGSTSWHQRN-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,4-Trifluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylbutan-2-ol
CID 57740572
1,1,1-Trifluoro-2,4-dimethyl-4-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxypentan-2-ol
CID 58205905
5,5,5-Trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol
CID 58860326
4-Butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol
CID 59169351
(2S,3S)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59287962
(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59287980
1,1,1,3,3-Pentafluoro-4-(2-methylbutoxy)butan-2-ol
CID 59752413
1,1,1,5,5,5-Hexafluoro-4-(2-hydroxypropoxy)-2,4-bis(trifluoromethyl)pentan-2-ol
CID 59911895
2-Methyl-3-(4,4,4-trifluoro-3-methylbutan-2-yl)oxybutan-1-ol
CID 88238943
2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol
CID 88869338
4-(Butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol
CID 88936041
3-(2-Ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol
CID 89027941

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol (CID 88981378) is 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol is CCC(C)COC(C)C(F)(F)C(O)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol?
The InChIKey is QCVCOGSTSWHQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7O2/c1-4-6(2)5-20-7(3)10(14,15)9(19,8(12)13)11(16,17)18/h6-8,19H,4-5H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol?
2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol has a molecular weight of 314.24 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol is sourced from PubChem (CID 88981378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).