2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol

C13H17BrFNO — CID 60898844

IUPAC2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO/c14-9-6-7-11(10(15)8-9)16-12-4-2-1-3-5-13(12)17/h6-8,12-13,16-17H,1-5H2
InChIKeyYUZXQNDFLNBUFL-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.69
Rot. Bonds2

About 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol

2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol (PubChem CID 60898844) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
PubChem CID60898844
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO/c14-9-6-7-11(10(15)8-9)16-12-4-2-1-3-5-13(12)17/h6-8,12-13,16-17H,1-5H2
InChIKeyYUZXQNDFLNBUFL-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
trans-(1R,2R)-2-(4-bromo-2,6-difluoroanilino)cyclohexan-1-ol
CID 102731340
4-(4-bromo-2-fluoroanilino)oxolan-3-ol
CID 60898846
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
4-(4-bromo-2-fluoroanilino)-1,1-dioxothiolan-3-ol
CID 60885079
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol (CID 60898844) is 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol is OC1CCCCCC1Nc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol?
The InChIKey is YUZXQNDFLNBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-9-6-7-11(10(15)8-9)16-12-4-2-1-3-5-13(12)17/h6-8,12-13,16-17H,1-5H2.
What are the key properties of 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol?
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol has a molecular weight of 302.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol is sourced from PubChem (CID 60898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).