1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol

C12H14BrF2NO — CID 65211096

IUPAC1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
SMILESOC1(CNc2c(F)cc(F)cc2Br)CCCC1
InChIInChI=1S/C12H14BrF2NO/c13-9-5-8(14)6-10(15)11(9)16-7-12(17)3-1-2-4-12/h5-6,16-17H,1-4,7H2
InChIKeyRPPAZCCZSMOUAA-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.44
Rot. Bonds3

About 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol

1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol (PubChem CID 65211096) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
PubChem CID65211096
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
SMILESOC1(CNc2c(F)cc(F)cc2Br)CCCC1
InChIInChI=1S/C12H14BrF2NO/c13-9-5-8(14)6-10(15)11(9)16-7-12(17)3-1-2-4-12/h5-6,16-17H,1-4,7H2
InChIKeyRPPAZCCZSMOUAA-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol (CID 65211096) is 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol is OC1(CNc2c(F)cc(F)cc2Br)CCCC1.
What is the InChIKey of 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol?
The InChIKey is RPPAZCCZSMOUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-9-5-8(14)6-10(15)11(9)16-7-12(17)3-1-2-4-12/h5-6,16-17H,1-4,7H2.
What are the key properties of 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol?
1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol has a molecular weight of 306.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65211096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).