(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate

C10H6F4O2 — CID 91452013

IUPAC(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)Oc1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H6F4O2/c1-6(10(12,13)14)9(15)16-8-5-3-2-4-7(8)11/h2-5H,1H2
InChIKeyLDABRGRIOOHMNO-UHFFFAOYSA-N
MW234.15 g/mol
LogP2.85
Rot. Bonds2

About (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate

(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate (PubChem CID 91452013) has the molecular formula C10H6F4O2 and a molecular weight of 234.15 g/mol. Its IUPAC name is (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
PubChem CID91452013
Molecular FormulaC10H6F4O2
Molecular Weight234.15 g/mol
Exact Mass234.03
IUPAC Name(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)Oc1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H6F4O2/c1-6(10(12,13)14)9(15)16-8-5-3-2-4-7(8)11/h2-5H,1H2
InChIKeyLDABRGRIOOHMNO-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 52.85
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'}

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Related Compounds

phenyl 2-(trifluoromethyl)prop-2-enoate
CID 11413270
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
[1,6,8-tris[2-(trifluoromethyl)prop-2-enoyloxy]phenanthren-3-yl] 2-(trifluoromethyl)prop-2-enoate
CID 118017195
bis(2-fluorophenyl) hexanedioate
CID 91704928
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
(2-fluorophenyl) 2-amino-2-phenylpropanoate
CID 174648990
(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
CID 83820757
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate (CID 91452013) is (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)Oc1ccccc1F)C(F)(F)F.
What is the InChIKey of (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is LDABRGRIOOHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O2/c1-6(10(12,13)14)9(15)16-8-5-3-2-4-7(8)11/h2-5H,1H2.
What are the key properties of (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate?
(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 234.15 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 91452013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).