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

C11H10BrFO3 — CID 117466681

IUPAC1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc3c(c(Br)c2F)OCO3)CC1
InChIInChI=1S/C11H10BrFO3/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
InChIKeyCHNPCIYULZPTPQ-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.38
Rot. Bonds2

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

1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117466681) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
PubChem CID117466681
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc3c(c(Br)c2F)OCO3)CC1
InChIInChI=1S/C11H10BrFO3/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
InChIKeyCHNPCIYULZPTPQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608
4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
N-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117414277
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
3-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)propanoic acid
CID 117469937
3-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)propanal
CID 117439419
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
CID 117447256
4-bromo-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84705938
1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860

Frequently Asked Questions

What is the IUPAC name of 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (CID 117466681) is 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is OC1(Cc2cc3c(c(Br)c2F)OCO3)CC1.
What is the InChIKey of 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is CHNPCIYULZPTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/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-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 289.10 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117466681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).