(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol

C8H8F10O — CID 89380858

IUPAC(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol
SMILESOCC[C@@H](CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F10O/c9-5(7(13,14)15,8(16,17)18)3-4(1-2-19)6(10,11)12/h4,19H,1-3H2/t4-/m0/s1
InChIKeyDVAFHCZGFVZZJT-BYPYZUCNSA-N
MW310.13 g/mol
LogP3.77
Rot. Bonds4

About (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol

(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol (PubChem CID 89380858) has the molecular formula C8H8F10O and a molecular weight of 310.13 g/mol. Its IUPAC name is (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol
PubChem CID89380858
Molecular FormulaC8H8F10O
Molecular Weight310.13 g/mol
Exact Mass310.04
IUPAC Name(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol
SMILESOCC[C@@H](CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F10O/c9-5(7(13,14)15,8(16,17)18)3-4(1-2-19)6(10,11)12/h4,19H,1-3H2/t4-/m0/s1
InChIKeyDVAFHCZGFVZZJT-BYPYZUCNSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol?
The IUPAC name of (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol (CID 89380858) is (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol?
The canonical SMILES for (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol is OCC[C@@H](CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol?
The InChIKey is DVAFHCZGFVZZJT-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8F10O/c9-5(7(13,14)15,8(16,17)18)3-4(1-2-19)6(10,11)12/h4,19H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol?
(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol has a molecular weight of 310.13 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 89380858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).