[4-(1-fluorocyclopropyl)phenyl]methyl formate

C11H11FO2 — CID 171720322

IUPAC[4-(1-fluorocyclopropyl)phenyl]methyl formate
SMILESO=COCc1ccc(C2(F)CC2)cc1
InChIInChI=1S/C11H11FO2/c12-11(5-6-11)10-3-1-9(2-4-10)7-14-8-13/h1-4,8H,5-7H2
InChIKeyYBTHAKUWXDOPHA-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.32
Rot. Bonds4

About [4-(1-fluorocyclopropyl)phenyl]methyl formate

[4-(1-fluorocyclopropyl)phenyl]methyl formate (PubChem CID 171720322) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is [4-(1-fluorocyclopropyl)phenyl]methyl formate.

Molecular Properties

Compound Name[4-(1-fluorocyclopropyl)phenyl]methyl formate
PubChem CID171720322
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name[4-(1-fluorocyclopropyl)phenyl]methyl formate
SMILESO=COCc1ccc(C2(F)CC2)cc1
InChIInChI=1S/C11H11FO2/c12-11(5-6-11)10-3-1-9(2-4-10)7-14-8-13/h1-4,8H,5-7H2
InChIKeyYBTHAKUWXDOPHA-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1-fluorocyclopropyl)phenyl]methyl formate?
The IUPAC name of [4-(1-fluorocyclopropyl)phenyl]methyl formate (CID 171720322) is [4-(1-fluorocyclopropyl)phenyl]methyl formate.
What is the SMILES notation for [4-(1-fluorocyclopropyl)phenyl]methyl formate?
The canonical SMILES for [4-(1-fluorocyclopropyl)phenyl]methyl formate is O=COCc1ccc(C2(F)CC2)cc1.
What is the InChIKey of [4-(1-fluorocyclopropyl)phenyl]methyl formate?
The InChIKey is YBTHAKUWXDOPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-11(5-6-11)10-3-1-9(2-4-10)7-14-8-13/h1-4,8H,5-7H2.
What are the key properties of [4-(1-fluorocyclopropyl)phenyl]methyl formate?
[4-(1-fluorocyclopropyl)phenyl]methyl formate has a molecular weight of 194.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluorocyclopropyl)phenyl]methyl formate is sourced from PubChem (CID 171720322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).