[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol

C12H15ClF3NO — CID 55010201

IUPAC[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
SMILESCC(C)N(CC(F)(F)F)c1cccc(Cl)c1CO
InChIInChI=1S/C12H15ClF3NO/c1-8(2)17(7-12(14,15)16)11-5-3-4-10(13)9(11)6-18/h3-5,8,18H,6-7H2,1-2H3
InChIKeyRCGFSNADJMEOCF-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.61
Rot. Bonds4

About [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol

[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol (PubChem CID 55010201) has the molecular formula C12H15ClF3NO and a molecular weight of 281.70 g/mol. Its IUPAC name is [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
PubChem CID55010201
Molecular FormulaC12H15ClF3NO
Molecular Weight281.70 g/mol
Exact Mass281.08
IUPAC Name[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
SMILESCC(C)N(CC(F)(F)F)c1cccc(Cl)c1CO
InChIInChI=1S/C12H15ClF3NO/c1-8(2)17(7-12(14,15)16)11-5-3-4-10(13)9(11)6-18/h3-5,8,18H,6-7H2,1-2H3
InChIKeyRCGFSNADJMEOCF-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol (CID 55010201) is [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol is CC(C)N(CC(F)(F)F)c1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
The InChIKey is RCGFSNADJMEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO/c1-8(2)17(7-12(14,15)16)11-5-3-4-10(13)9(11)6-18/h3-5,8,18H,6-7H2,1-2H3.
What are the key properties of [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol has a molecular weight of 281.70 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol is sourced from PubChem (CID 55010201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).