1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol

C10H10BrFO — CID 117364001

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C10H10BrFO/c11-9-2-1-8(12)5-7(9)6-10(13)3-4-10/h1-2,5,13H,3-4,6H2
InChIKeyKHCIVMHBSBGICT-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.66
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol

1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol (PubChem CID 117364001) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
PubChem CID117364001
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C10H10BrFO/c11-9-2-1-8(12)5-7(9)6-10(13)3-4-10/h1-2,5,13H,3-4,6H2
InChIKeyKHCIVMHBSBGICT-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147531
4-[(2-bromo-5-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 65153990
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
1-[(2-bromo-5-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314859
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490514
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855647
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol (CID 117364001) is 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol is OC1(Cc2cc(F)ccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol?
The InChIKey is KHCIVMHBSBGICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c11-9-2-1-8(12)5-7(9)6-10(13)3-4-10/h1-2,5,13H,3-4,6H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol?
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol has a molecular weight of 245.09 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117364001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).