4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol

C10H10BrF2NO — CID 115680068

IUPAC4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol
SMILESC=C(Br)CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H10BrF2NO/c1-6(11)4-14-5-7-2-8(12)10(15)9(13)3-7/h2-3,14-15H,1,4-5H2
InChIKeyGRCZDMFQBWASEB-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.67
Rot. Bonds4

About 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol

4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol (PubChem CID 115680068) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol
PubChem CID115680068
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol
SMILESC=C(Br)CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H10BrF2NO/c1-6(11)4-14-5-7-2-8(12)10(15)9(13)3-7/h2-3,14-15H,1,4-5H2
InChIKeyGRCZDMFQBWASEB-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]prop-2-en-1-amine
CID 115619240
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461
4-[(2-bromoprop-2-enylamino)methyl]-3,5-difluorobenzonitrile
CID 107038923
2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
CID 13430243
2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine
CID 115614740
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine
CID 115618237
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
CID 113251415
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
4-[(2-bromoprop-2-enylamino)methyl]-N,N-diethylaniline
CID 115614882

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol (CID 115680068) is 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol is C=C(Br)CNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol?
The InChIKey is GRCZDMFQBWASEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-6(11)4-14-5-7-2-8(12)10(15)9(13)3-7/h2-3,14-15H,1,4-5H2.
What are the key properties of 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol?
4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol has a molecular weight of 278.10 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 115680068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).