1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol

C12H12ClFO3 — CID 117400326

IUPAC1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2c(F)c(Cl)cc3c2OCCO3)CC1
InChIInChI=1S/C12H12ClFO3/c13-8-5-9-11(17-4-3-16-9)7(10(8)14)6-12(15)1-2-12/h5,15H,1-4,6H2
InChIKeyUKHORMUUVYLEQG-UHFFFAOYSA-N
MW258.68 g/mol
LogP2.32
Rot. Bonds2

About 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol

1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117400326) has the molecular formula C12H12ClFO3 and a molecular weight of 258.68 g/mol. Its IUPAC name is 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
PubChem CID117400326
Molecular FormulaC12H12ClFO3
Molecular Weight258.68 g/mol
Exact Mass258.05
IUPAC Name1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2c(F)c(Cl)cc3c2OCCO3)CC1
InChIInChI=1S/C12H12ClFO3/c13-8-5-9-11(17-4-3-16-9)7(10(8)14)6-12(15)1-2-12/h5,15H,1-4,6H2
InChIKeyUKHORMUUVYLEQG-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol with MolForge

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Related Compounds

1-[(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117429804
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopropan-1-ol
CID 117354006
1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
1-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropan-1-ol
CID 117400328
3-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-amine
CID 117403455
2-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]pyrrolidine
CID 117432063
1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608
1-[[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]cyclopropan-1-ol
CID 117348853
3-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperidine
CID 117460257
5-[(1-aminocyclopropyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117392338
N-[(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117313514

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol (CID 117400326) is 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol is OC1(Cc2c(F)c(Cl)cc3c2OCCO3)CC1.
What is the InChIKey of 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is UKHORMUUVYLEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO3/c13-8-5-9-11(17-4-3-16-9)7(10(8)14)6-12(15)1-2-12/h5,15H,1-4,6H2.
What are the key properties of 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol?
1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 258.68 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117400326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).