(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol

C11H12F2OS — CID 102468057

IUPAC(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol
SMILESC/C=C/C(O)C(F)(F)Sc1ccccc1
InChIInChI=1S/C11H12F2OS/c1-2-6-10(14)11(12,13)15-9-7-4-3-5-8-9/h2-8,10,14H,1H3/b6-2+
InChIKeyLZLLUVSKKYAJII-QHHAFSJGSA-N
MW230.28 g/mol
LogP3.31
Rot. Bonds4

About (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol

(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol (PubChem CID 102468057) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol
PubChem CID102468057
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol
SMILESC/C=C/C(O)C(F)(F)Sc1ccccc1
InChIInChI=1S/C11H12F2OS/c1-2-6-10(14)11(12,13)15-9-7-4-3-5-8-9/h2-8,10,14H,1H3/b6-2+
InChIKeyLZLLUVSKKYAJII-QHHAFSJGSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
(2,2,2-Trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
2-(Phenylthio)-2,2-difluoroethanol
CID 51033051
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
(2S)-1,1,1-trifluoro-3-(phenylsulfanyl)-2-propanol
CID 1481596
(E)-5-ethoxy-6,6,6-trifluoro-4-phenylsulfanylhex-4-en-2-yn-1-ol
CID 10709466
(Z,2R,6R)-1,1,1,7,7,7-hexafluoro-4-phenylsulfanylhept-3-ene-2,6-diol
CID 11078503
(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
CID 13492169

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol?
The IUPAC name of (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol (CID 102468057) is (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol.
What is the SMILES notation for (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol?
The canonical SMILES for (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol is C/C=C/C(O)C(F)(F)Sc1ccccc1.
What is the InChIKey of (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol?
The InChIKey is LZLLUVSKKYAJII-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H12F2OS/c1-2-6-10(14)11(12,13)15-9-7-4-3-5-8-9/h2-8,10,14H,1H3/b6-2+.
What are the key properties of (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol?
(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol has a molecular weight of 230.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol is sourced from PubChem (CID 102468057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).