2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol

C11H13ClF3NO — CID 20792225

IUPAC2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol
SMILESCC(F)(F)CNc1ccc(Cl)c(CCO)c1F
InChIInChI=1S/C11H13ClF3NO/c1-11(14,15)6-16-9-3-2-8(12)7(4-5-17)10(9)13/h2-3,16-17H,4-6H2,1H3
InChIKeyPJCVDMKDTIATGW-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.08
Rot. Bonds5

About 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol

2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol (PubChem CID 20792225) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol
PubChem CID20792225
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol
SMILESCC(F)(F)CNc1ccc(Cl)c(CCO)c1F
InChIInChI=1S/C11H13ClF3NO/c1-11(14,15)6-16-9-3-2-8(12)7(4-5-17)10(9)13/h2-3,16-17H,4-6H2,1H3
InChIKeyPJCVDMKDTIATGW-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol?
The IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol (CID 20792225) is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol.
What is the SMILES notation for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol?
The canonical SMILES for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol is CC(F)(F)CNc1ccc(Cl)c(CCO)c1F.
What is the InChIKey of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol?
The InChIKey is PJCVDMKDTIATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-11(14,15)6-16-9-3-2-8(12)7(4-5-17)10(9)13/h2-3,16-17H,4-6H2,1H3.
What are the key properties of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol?
2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol has a molecular weight of 267.68 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol is sourced from PubChem (CID 20792225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).