(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol

C7H5F9O — CID 98047511

IUPAC(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol
SMILESOC/C=C\[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h1-2,17H,3H2/b2-1-/t4-/m0/s1
InChIKeyICPWRRKQWSNHQB-XDSMRRFISA-N
MW276.10 g/mol
LogP3.00
Rot. Bonds3

About (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol

(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol (PubChem CID 98047511) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol.

Molecular Properties

Compound Name(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol
PubChem CID98047511
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol
SMILESOC/C=C\[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h1-2,17H,3H2/b2-1-/t4-/m0/s1
InChIKeyICPWRRKQWSNHQB-XDSMRRFISA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol
CID 614370
4,4,5,5,6,6,6-Heptafluoro-2-iodohex-2-en-1-ol
CID 614586
4,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol
CID 2774915
4,4,5,5,6,6,7,7,7-Nonafluorohept-2-en-1-ol
CID 2775815
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoronon-2-en-1-ol
CID 2776183
(2Z)-4,4,5,5,6,6,6-Heptafluoro-2-iodohex-2-en-1-ol
CID 5706480
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol
CID 5708520
(2E)-4,4,5,5,6,6,7,7,7-Nonafluorohept-2-en-1-ol
CID 5708662
3-(Perfluoro-n-hexyl)prop-2-en-1-ol
CID 5708693
(2E)-4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
CID 5708735
(2Z)-4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol
CID 5709621
(2Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoronon-2-en-1-ol
CID 14008837

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol?
The IUPAC name of (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol (CID 98047511) is (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol.
What is the SMILES notation for (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol?
The canonical SMILES for (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol is OC/C=C\[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol?
The InChIKey is ICPWRRKQWSNHQB-XDSMRRFISA-N. The full InChI is InChI=1S/C7H5F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h1-2,17H,3H2/b2-1-/t4-/m0/s1.
What are the key properties of (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol?
(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol has a molecular weight of 276.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol is sourced from PubChem (CID 98047511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).