(Z)-2-chloro-1-fluoroprop-1-en-1-ol

C3H4ClFO — CID 173270736

IUPAC(Z)-2-chloro-1-fluoroprop-1-en-1-ol
SMILESC/C(Cl)=C(\O)F
InChIInChI=1S/C3H4ClFO/c1-2(4)3(5)6/h6H,1H3/b3-2+
InChIKeyGIUZPPCFUWKJHG-NSCUHMNNSA-N
MW110.51 g/mol
LogP1.94
Rot. Bonds

About (Z)-2-chloro-1-fluoroprop-1-en-1-ol

(Z)-2-chloro-1-fluoroprop-1-en-1-ol (PubChem CID 173270736) has the molecular formula C3H4ClFO and a molecular weight of 110.51 g/mol. Its IUPAC name is (Z)-2-chloro-1-fluoroprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-2-chloro-1-fluoroprop-1-en-1-ol
PubChem CID173270736
Molecular FormulaC3H4ClFO
Molecular Weight110.51 g/mol
Exact Mass109.99
IUPAC Name(Z)-2-chloro-1-fluoroprop-1-en-1-ol
SMILESC/C(Cl)=C(\O)F
InChIInChI=1S/C3H4ClFO/c1-2(4)3(5)6/h6H,1H3/b3-2+
InChIKeyGIUZPPCFUWKJHG-NSCUHMNNSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-fluoroprop-1-en-1-ol?
The IUPAC name of (Z)-2-chloro-1-fluoroprop-1-en-1-ol (CID 173270736) is (Z)-2-chloro-1-fluoroprop-1-en-1-ol.
What is the SMILES notation for (Z)-2-chloro-1-fluoroprop-1-en-1-ol?
The canonical SMILES for (Z)-2-chloro-1-fluoroprop-1-en-1-ol is C/C(Cl)=C(\O)F.
What is the InChIKey of (Z)-2-chloro-1-fluoroprop-1-en-1-ol?
The InChIKey is GIUZPPCFUWKJHG-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H4ClFO/c1-2(4)3(5)6/h6H,1H3/b3-2+.
What are the key properties of (Z)-2-chloro-1-fluoroprop-1-en-1-ol?
(Z)-2-chloro-1-fluoroprop-1-en-1-ol has a molecular weight of 110.51 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-fluoroprop-1-en-1-ol is sourced from PubChem (CID 173270736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).