2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol

C11H13ClF3NO — CID 82981036

IUPAC2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCN(CCC(F)(F)F)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClF3NO/c1-16(5-4-11(13,14)15)7-8-2-3-10(17)9(12)6-8/h2-3,6,17H,4-5,7H2,1H3
InChIKeyOPJNWRCFIFSKNR-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol

2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (PubChem CID 82981036) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
PubChem CID82981036
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCN(CCC(F)(F)F)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClF3NO/c1-16(5-4-11(13,14)15)7-8-2-3-10(17)9(12)6-8/h2-3,6,17H,4-5,7H2,1H3
InChIKeyOPJNWRCFIFSKNR-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 79311898
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
2-fluoro-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzonitrile
CID 113256156
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (CID 82981036) is 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is CN(CCC(F)(F)F)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The InChIKey is OPJNWRCFIFSKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-16(5-4-11(13,14)15)7-8-2-3-10(17)9(12)6-8/h2-3,6,17H,4-5,7H2,1H3.
What are the key properties of 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol has a molecular weight of 267.68 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is sourced from PubChem (CID 82981036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).