phenyl (Z)-3-chloro-2-fluoroprop-2-enoate

C9H6ClFO2 — CID 102446319

IUPACphenyl (Z)-3-chloro-2-fluoroprop-2-enoate
SMILESO=C(Oc1ccccc1)/C(F)=C/Cl
InChIInChI=1S/C9H6ClFO2/c10-6-8(11)9(12)13-7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyNICFTOVQDLRRFJ-VURMDHGXSA-N
MW200.60 g/mol
LogP2.64
Rot. Bonds2

About phenyl (Z)-3-chloro-2-fluoroprop-2-enoate

phenyl (Z)-3-chloro-2-fluoroprop-2-enoate (PubChem CID 102446319) has the molecular formula C9H6ClFO2 and a molecular weight of 200.60 g/mol. Its IUPAC name is phenyl (Z)-3-chloro-2-fluoroprop-2-enoate.

Molecular Properties

Compound Namephenyl (Z)-3-chloro-2-fluoroprop-2-enoate
PubChem CID102446319
Molecular FormulaC9H6ClFO2
Molecular Weight200.60 g/mol
Exact Mass200.00
IUPAC Namephenyl (Z)-3-chloro-2-fluoroprop-2-enoate
SMILESO=C(Oc1ccccc1)/C(F)=C/Cl
InChIInChI=1S/C9H6ClFO2/c10-6-8(11)9(12)13-7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyNICFTOVQDLRRFJ-VURMDHGXSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze phenyl (Z)-3-chloro-2-fluoroprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl oxalate;ethane
CID 162013592
2-O-chloro 1-O-phenyl oxalate
CID 54251565
phenyl 2,3-dichloro-4,4,4-trifluorobut-2-enoate
CID 154352337
phenyl 2-phenoxyprop-2-enoate
CID 141223374
1-chloroprop-1-en-2-yloxybenzene
CID 525301
2-O-(2,3,4,5,6-pentachlorophenyl) 1-O-phenyl oxalate
CID 5314987
iron;phenyl carbonochloridate
CID 159914445
phenyl 2-iodoprop-2-enoate
CID 71551534
phenyl 2,3-dioxobutanoate
CID 125499632
phenyl 2-(trifluoromethyl)prop-2-enoate
CID 11413270
2-O-(4-fluoro-3-methylphenyl) 1-O-phenyl oxalate
CID 118592918
phenyl 2-oxopent-4-enoate
CID 68552503

Frequently Asked Questions

What is the IUPAC name of phenyl (Z)-3-chloro-2-fluoroprop-2-enoate?
The IUPAC name of phenyl (Z)-3-chloro-2-fluoroprop-2-enoate (CID 102446319) is phenyl (Z)-3-chloro-2-fluoroprop-2-enoate.
What is the SMILES notation for phenyl (Z)-3-chloro-2-fluoroprop-2-enoate?
The canonical SMILES for phenyl (Z)-3-chloro-2-fluoroprop-2-enoate is O=C(Oc1ccccc1)/C(F)=C/Cl.
What is the InChIKey of phenyl (Z)-3-chloro-2-fluoroprop-2-enoate?
The InChIKey is NICFTOVQDLRRFJ-VURMDHGXSA-N. The full InChI is InChI=1S/C9H6ClFO2/c10-6-8(11)9(12)13-7-4-2-1-3-5-7/h1-6H/b8-6-.
What are the key properties of phenyl (Z)-3-chloro-2-fluoroprop-2-enoate?
phenyl (Z)-3-chloro-2-fluoroprop-2-enoate has a molecular weight of 200.60 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (Z)-3-chloro-2-fluoroprop-2-enoate is sourced from PubChem (CID 102446319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).