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

C9H4ClF5O — CID 123921310

IUPAC3-chloro-5-(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
InChIKeyPDQCNLOSIZABRN-UHFFFAOYSA-N
MW258.57 g/mol
LogP4.22
Rot. Bonds1

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

3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol (PubChem CID 123921310) has the molecular formula C9H4ClF5O and a molecular weight of 258.57 g/mol. Its IUPAC name is 3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol.

Molecular Properties

Compound Name3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol
PubChem CID123921310
Molecular FormulaC9H4ClF5O
Molecular Weight258.57 g/mol
Exact Mass257.99
IUPAC Name3-chloro-5-(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
InChIKeyPDQCNLOSIZABRN-UHFFFAOYSA-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-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol?
The IUPAC name of 3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol (CID 123921310) is 3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol.
What is the SMILES notation for 3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol?
The canonical SMILES for 3-chloro-5-(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-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol?
The InChIKey is PDQCNLOSIZABRN-UHFFFAOYSA-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.
What are the key properties of 3-chloro-5-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol?
3-chloro-5-(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-(1,2,3,3,3-pentafluoroprop-1-enyl)phenol is sourced from PubChem (CID 123921310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).