3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol

C10H11BrF2O — CID 117416464

IUPAC3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H11BrF2O/c11-9-6-7(2-1-5-14)3-4-8(9)10(12)13/h3-4,6,10,14H,1-2,5H2
InChIKeyNHRXVPOCWAFIOA-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.31
Rot. Bonds4

About 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol

3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol (PubChem CID 117416464) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
PubChem CID117416464
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H11BrF2O/c11-9-6-7(2-1-5-14)3-4-8(9)10(12)13/h3-4,6,10,14H,1-2,5H2
InChIKeyNHRXVPOCWAFIOA-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117400911
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CID 134628649
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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol (CID 117416464) is 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol is OCCCc1ccc(C(F)F)c(Br)c1.
What is the InChIKey of 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol?
The InChIKey is NHRXVPOCWAFIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O/c11-9-6-7(2-1-5-14)3-4-8(9)10(12)13/h3-4,6,10,14H,1-2,5H2.
What are the key properties of 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol?
3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol has a molecular weight of 265.10 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117416464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).