1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol

C10H8BrF3O — CID 117117572

IUPAC1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(F)c(Br)c(F)c2F)CC1
InChIInChI=1S/C10H8BrF3O/c11-7-6(12)3-5(8(13)9(7)14)4-10(15)1-2-10/h3,15H,1-2,4H2
InChIKeyXSXNSRNCCDGSSN-UHFFFAOYSA-N
MW281.07 g/mol
LogP2.93
Rot. Bonds2

About 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol

1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol (PubChem CID 117117572) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
PubChem CID117117572
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(F)c(Br)c(F)c2F)CC1
InChIInChI=1S/C10H8BrF3O/c11-7-6(12)3-5(8(13)9(7)14)4-10(15)1-2-10/h3,15H,1-2,4H2
InChIKeyXSXNSRNCCDGSSN-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
CID 117447256
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117466681
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
CID 117286145
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
CID 117111115
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
CID 117332255
1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117332594

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol (CID 117117572) is 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol is OC1(Cc2cc(F)c(Br)c(F)c2F)CC1.
What is the InChIKey of 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol?
The InChIKey is XSXNSRNCCDGSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-7-6(12)3-5(8(13)9(7)14)4-10(15)1-2-10/h3,15H,1-2,4H2.
What are the key properties of 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol?
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol has a molecular weight of 281.07 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117117572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).