4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene

C11H12ClFO — CID 130161233

IUPAC4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C11H12ClFO/c12-9-4-5-11(10(13)6-9)14-7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyWVKFHZUUWCOETK-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.66
Rot. Bonds3

About 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene

4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene (PubChem CID 130161233) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
PubChem CID130161233
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C11H12ClFO/c12-9-4-5-11(10(13)6-9)14-7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyWVKFHZUUWCOETK-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene 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

4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
CID 84681387
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117388527
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene?
The IUPAC name of 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene (CID 130161233) is 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene is Fc1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene?
The InChIKey is WVKFHZUUWCOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-9-4-5-11(10(13)6-9)14-7-8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene?
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene has a molecular weight of 214.67 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene is sourced from PubChem (CID 130161233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).