2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline

C11H13BrFNO — CID 107598059

IUPAC2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
SMILESFc1cccc(Br)c1NCC1CCCO1
InChIInChI=1S/C11H13BrFNO/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1,4-5,8,14H,2-3,6-7H2
InChIKeyKTTNPPNOJMJFMV-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.18
Rot. Bonds3

About 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline

2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline (PubChem CID 107598059) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
PubChem CID107598059
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
SMILESFc1cccc(Br)c1NCC1CCCO1
InChIInChI=1S/C11H13BrFNO/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1,4-5,8,14H,2-3,6-7H2
InChIKeyKTTNPPNOJMJFMV-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-fluoroaniline
CID 107599198
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
3,5-difluoro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63187467
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54809610
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
3-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750081
3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline (CID 107598059) is 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline is Fc1cccc(Br)c1NCC1CCCO1.
What is the InChIKey of 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is KTTNPPNOJMJFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1,4-5,8,14H,2-3,6-7H2.
What are the key properties of 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline?
2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 274.13 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 107598059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).