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

C14H18BrF2NO — CID 65469763

IUPAC1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol
SMILESOC1(CNc2c(F)cc(Br)cc2F)CCCCCC1
InChIInChI=1S/C14H18BrF2NO/c15-10-7-11(16)13(12(17)8-10)18-9-14(19)5-3-1-2-4-6-14/h7-8,18-19H,1-6,9H2
InChIKeyGWNSSZWURTVFDJ-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.22
Rot. Bonds3

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

1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol (PubChem CID 65469763) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol
PubChem CID65469763
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol
SMILESOC1(CNc2c(F)cc(Br)cc2F)CCCCCC1
InChIInChI=1S/C14H18BrF2NO/c15-10-7-11(16)13(12(17)8-10)18-9-14(19)5-3-1-2-4-6-14/h7-8,18-19H,1-6,9H2
InChIKeyGWNSSZWURTVFDJ-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
CID 65211096
3,5-difluoro-4-[(1-hydroxycyclobutyl)methylamino]benzoic acid
CID 114093739
1-[[3-bromo-5-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 65490239
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol
CID 81280448
1-[(2-bromo-4-chloroanilino)methyl]cyclohexan-1-ol
CID 81270602
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
2-(4-bromo-2,6-difluoroanilino)-N'-hydroxyethanimidamide
CID 77071872
1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 65467559
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
1-[(2-amino-5-fluoro-4-iodoanilino)methyl]cyclohexan-1-ol
CID 66101510

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol (CID 65469763) is 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol is OC1(CNc2c(F)cc(Br)cc2F)CCCCCC1.
What is the InChIKey of 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol?
The InChIKey is GWNSSZWURTVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c15-10-7-11(16)13(12(17)8-10)18-9-14(19)5-3-1-2-4-6-14/h7-8,18-19H,1-6,9H2.
What are the key properties of 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol?
1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol has a molecular weight of 334.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65469763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).