3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol

C9H4ClF5O — CID 118581093

IUPAC3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol
SMILESOc1cc(Cl)cc(/C(F)=C(\F)C(F)(F)F)c1
InChIInChI=1S/C9H4ClF5O/c10-5-1-4(2-6(16)3-5)7(11)8(12)9(13,14)15/h1-3,16H/b8-7+
InChIKeyPDQCNLOSIZABRN-BQYQJAHWSA-N
MW258.57 g/mol
LogP4.22
Rot. Bonds1

About 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol

3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol (PubChem CID 118581093) has the molecular formula C9H4ClF5O and a molecular weight of 258.57 g/mol. Its IUPAC name is 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol.

Molecular Properties

Compound Name3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol
PubChem CID118581093
Molecular FormulaC9H4ClF5O
Molecular Weight258.57 g/mol
Exact Mass257.99
IUPAC Name3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol
SMILESOc1cc(Cl)cc(/C(F)=C(\F)C(F)(F)F)c1
InChIInChI=1S/C9H4ClF5O/c10-5-1-4(2-6(16)3-5)7(11)8(12)9(13,14)15/h1-3,16H/b8-7+
InChIKeyPDQCNLOSIZABRN-BQYQJAHWSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol?
The IUPAC name of 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol (CID 118581093) is 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol.
What is the SMILES notation for 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol?
The canonical SMILES for 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol is Oc1cc(Cl)cc(/C(F)=C(\F)C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol?
The InChIKey is PDQCNLOSIZABRN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H4ClF5O/c10-5-1-4(2-6(16)3-5)7(11)8(12)9(13,14)15/h1-3,16H/b8-7+.
What are the key properties of 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol?
3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol has a molecular weight of 258.57 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenol is sourced from PubChem (CID 118581093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).