(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate

C10H8F2O2 — CID 70650926

IUPAC(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
SMILESO=C(Oc1ccc(F)cc1)C1(F)CC1
InChIInChI=1S/C10H8F2O2/c11-7-1-3-8(4-2-7)14-9(13)10(12)5-6-10/h1-4H,5-6H2
InChIKeyCVMOMPREECAWCC-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.23
Rot. Bonds2

About (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate

(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate (PubChem CID 70650926) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
PubChem CID70650926
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
SMILESO=C(Oc1ccc(F)cc1)C1(F)CC1
InChIInChI=1S/C10H8F2O2/c11-7-1-3-8(4-2-7)14-9(13)10(12)5-6-10/h1-4H,5-6H2
InChIKeyCVMOMPREECAWCC-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(1,4,4-trifluorocyclohexanecarbonyl)oxyphenyl]prop-2-enoic acid
CID 141222557
(4-fluorophenyl) phenyl carbonate
CID 555788
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
phenyl 1-aminocyclopentane-1-carboxylate
CID 45089706
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
[4-(4-fluorophenoxy)carbothioylphenyl] acetate
CID 57307652
3,5,7-tris(phenoxycarbonyl)adamantane-1-carboxylic acid
CID 23026439
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
4-[(4-fluorophenoxy)methyl]oxane-4-carboxylic acid
CID 97033966

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate?
The IUPAC name of (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate (CID 70650926) is (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate is O=C(Oc1ccc(F)cc1)C1(F)CC1.
What is the InChIKey of (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate?
The InChIKey is CVMOMPREECAWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-7-1-3-8(4-2-7)14-9(13)10(12)5-6-10/h1-4H,5-6H2.
What are the key properties of (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate?
(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate has a molecular weight of 198.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 70650926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).