1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol

C11H10ClFO3 — CID 117363608

IUPAC1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc3c(c(Cl)c2F)OCO3)CC1
InChIInChI=1S/C11H10ClFO3/c12-8-9(13)6(4-11(14)1-2-11)3-7-10(8)16-5-15-7/h3,14H,1-2,4-5H2
InChIKeyCFBYUMJQJNENHQ-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.28
Rot. Bonds2

About 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol

1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117363608) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
PubChem CID117363608
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc3c(c(Cl)c2F)OCO3)CC1
InChIInChI=1S/C11H10ClFO3/c12-8-9(13)6(4-11(14)1-2-11)3-7-10(8)16-5-15-7/h3,14H,1-2,4-5H2
InChIKeyCFBYUMJQJNENHQ-UHFFFAOYSA-N
XLogP2.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117466681
4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117314173
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
4-chloro-5-fluoro-6-(isocyanatomethyl)-1,3-benzodioxole
CID 117331245
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopropan-1-ol
CID 117354006
1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117400326
2-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117397554
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671070
2-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 117369110

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (CID 117363608) is 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is OC1(Cc2cc3c(c(Cl)c2F)OCO3)CC1.
What is the InChIKey of 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is CFBYUMJQJNENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c12-8-9(13)6(4-11(14)1-2-11)3-7-10(8)16-5-15-7/h3,14H,1-2,4-5H2.
What are the key properties of 1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 244.65 g/mol, XLogP of 2.28, 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-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117363608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).