(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol

C8H14F4O — CID 162572819

IUPAC(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol
SMILESC[C@@H](CF)C(C)(C)C(O)C(F)(F)F
InChIInChI=1S/C8H14F4O/c1-5(4-9)7(2,3)6(13)8(10,11)12/h5-6,13H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyXBECKHIULAKPBK-ZBHICJROSA-N
MW202.19 g/mol
LogP2.54
Rot. Bonds3

About (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol

(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol (PubChem CID 162572819) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol
PubChem CID162572819
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol
SMILESC[C@@H](CF)C(C)(C)C(O)C(F)(F)F
InChIInChI=1S/C8H14F4O/c1-5(4-9)7(2,3)6(13)8(10,11)12/h5-6,13H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyXBECKHIULAKPBK-ZBHICJROSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3,4-hexafluorobutan-2-ol
CID 21049771
1,1,1-trifluoro-4,5,5-trimethylhexan-2-ol
CID 155261760
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 58361159
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
CID 162498087
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
CID 161162971
3-fluoro-3,4-dimethylhexane
CID 153400772
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol
CID 173465008
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
(2R)-4,4-dimethylpentan-2-ol
CID 7014873

Frequently Asked Questions

What is the IUPAC name of (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol?
The IUPAC name of (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol (CID 162572819) is (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol.
What is the SMILES notation for (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol?
The canonical SMILES for (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol is C[C@@H](CF)C(C)(C)C(O)C(F)(F)F.
What is the InChIKey of (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol?
The InChIKey is XBECKHIULAKPBK-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14F4O/c1-5(4-9)7(2,3)6(13)8(10,11)12/h5-6,13H,4H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol?
(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol has a molecular weight of 202.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol is sourced from PubChem (CID 162572819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).