(2-fluoro-2-methoxycyclopropyl)benzene

C10H11FO — CID 174280864

IUPAC(2-fluoro-2-methoxycyclopropyl)benzene
SMILESCOC1(F)CC1c1ccccc1
InChIInChI=1S/C10H11FO/c1-12-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyGCXBCJBAQNROTA-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.49
Rot. Bonds2

About (2-fluoro-2-methoxycyclopropyl)benzene

(2-fluoro-2-methoxycyclopropyl)benzene (PubChem CID 174280864) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (2-fluoro-2-methoxycyclopropyl)benzene.

Molecular Properties

Compound Name(2-fluoro-2-methoxycyclopropyl)benzene
PubChem CID174280864
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(2-fluoro-2-methoxycyclopropyl)benzene
SMILESCOC1(F)CC1c1ccccc1
InChIInChI=1S/C10H11FO/c1-12-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyGCXBCJBAQNROTA-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-fluoro-2-methoxycyclopropyl)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-methoxycyclopropyl)benzene?
The IUPAC name of (2-fluoro-2-methoxycyclopropyl)benzene (CID 174280864) is (2-fluoro-2-methoxycyclopropyl)benzene.
What is the SMILES notation for (2-fluoro-2-methoxycyclopropyl)benzene?
The canonical SMILES for (2-fluoro-2-methoxycyclopropyl)benzene is COC1(F)CC1c1ccccc1.
What is the InChIKey of (2-fluoro-2-methoxycyclopropyl)benzene?
The InChIKey is GCXBCJBAQNROTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-12-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of (2-fluoro-2-methoxycyclopropyl)benzene?
(2-fluoro-2-methoxycyclopropyl)benzene has a molecular weight of 166.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-methoxycyclopropyl)benzene is sourced from PubChem (CID 174280864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).