1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol

C10H9BrClFO — CID 117448563

IUPAC1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(F)c(Cl)c(Br)c2)CC1
InChIInChI=1S/C10H9BrClFO/c11-7-3-6(4-8(13)9(7)12)5-10(14)1-2-10/h3-4,14H,1-2,5H2
InChIKeyYGAZTTIAOMSJKX-UHFFFAOYSA-N
MW279.54 g/mol
LogP3.31
Rot. Bonds2

About 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol

1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol (PubChem CID 117448563) has the molecular formula C10H9BrClFO and a molecular weight of 279.54 g/mol. Its IUPAC name is 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
PubChem CID117448563
Molecular FormulaC10H9BrClFO
Molecular Weight279.54 g/mol
Exact Mass277.95
IUPAC Name1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(F)c(Cl)c(Br)c2)CC1
InChIInChI=1S/C10H9BrClFO/c11-7-3-6(4-8(13)9(7)12)5-10(14)1-2-10/h3-4,14H,1-2,5H2
InChIKeyYGAZTTIAOMSJKX-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192
O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 117389552
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117328603
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
CID 117302979
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol (CID 117448563) is 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol is OC1(Cc2cc(F)c(Cl)c(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol?
The InChIKey is YGAZTTIAOMSJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO/c11-7-3-6(4-8(13)9(7)12)5-10(14)1-2-10/h3-4,14H,1-2,5H2.
What are the key properties of 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol?
1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol has a molecular weight of 279.54 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117448563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).