1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene

C11H11ClF2O — CID 141432461

IUPAC1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
SMILESFC1(F)CC(COc2ccccc2Cl)C1
InChIInChI=1S/C11H11ClF2O/c12-9-3-1-2-4-10(9)15-7-8-5-11(13,14)6-8/h1-4,8H,5-7H2
InChIKeyGNESWGVOVPFLIU-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.76
Rot. Bonds3

About 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene

1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene (PubChem CID 141432461) has the molecular formula C11H11ClF2O and a molecular weight of 232.66 g/mol. Its IUPAC name is 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
PubChem CID141432461
Molecular FormulaC11H11ClF2O
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
SMILESFC1(F)CC(COc2ccccc2Cl)C1
InChIInChI=1S/C11H11ClF2O/c12-9-3-1-2-4-10(9)15-7-8-5-11(13,14)6-8/h1-4,8H,5-7H2
InChIKeyGNESWGVOVPFLIU-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
CID 82078485
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
CID 57305157
[2-[(2-chlorophenoxy)methyl]cyclopropyl]methanol
CID 112547364
6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83823125
1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene
CID 99992058
1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol
CID 114224199
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
CID 114225343
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
3-chloro-2-[(3,3-difluorocyclopentyl)methoxy]benzaldehyde
CID 114224106
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
CID 166839557

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene?
The IUPAC name of 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene (CID 141432461) is 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene?
The canonical SMILES for 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene is FC1(F)CC(COc2ccccc2Cl)C1.
What is the InChIKey of 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene?
The InChIKey is GNESWGVOVPFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O/c12-9-3-1-2-4-10(9)15-7-8-5-11(13,14)6-8/h1-4,8H,5-7H2.
What are the key properties of 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene?
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene has a molecular weight of 232.66 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene is sourced from PubChem (CID 141432461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).