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

C11H12F2OS — CID 13492170

IUPAC(Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(O)/C(F)=C(\F)Sc1ccccc1
InChIInChI=1S/C11H12F2OS/c1-2-9(14)10(12)11(13)15-8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3/b11-10-
InChIKeyYENMRZRRMDPSNV-KHPPLWFESA-N
MW230.28 g/mol
LogP3.66
Rot. Bonds4

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

(Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 13492170) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol
PubChem CID13492170
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name(Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(O)/C(F)=C(\F)Sc1ccccc1
InChIInChI=1S/C11H12F2OS/c1-2-9(14)10(12)11(13)15-8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3/b11-10-
InChIKeyYENMRZRRMDPSNV-KHPPLWFESA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
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-(Phenylsulfanyl)propan-1-ol
CID 15563453
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
(2S)-1,1,1-trifluoro-3-(phenylsulfanyl)-2-propanol
CID 1481596
(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 (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol (CID 13492170) is (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol is CCC(O)/C(F)=C(\F)Sc1ccccc1.
What is the InChIKey of (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is YENMRZRRMDPSNV-KHPPLWFESA-N. The full InChI is InChI=1S/C11H12F2OS/c1-2-9(14)10(12)11(13)15-8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3/b11-10-.
What are the key properties of (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol?
(Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 230.28 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 13492170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).