2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol

C16H15ClF3NO — CID 22475336

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol
SMILESOCCc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C16H15ClF3NO/c17-13-6-7-14(15(18)12(13)8-9-22)21-10-16(19,20)11-4-2-1-3-5-11/h1-7,21-22H,8-10H2
InChIKeyCUYNAKWNOPOREZ-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.22
Rot. Bonds6

About 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol

2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol (PubChem CID 22475336) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol
PubChem CID22475336
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol
SMILESOCCc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C16H15ClF3NO/c17-13-6-7-14(15(18)12(13)8-9-22)21-10-16(19,20)11-4-2-1-3-5-11/h1-7,21-22H,8-10H2
InChIKeyCUYNAKWNOPOREZ-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.22
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-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol (CID 22475336) is 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol is OCCc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol?
The InChIKey is CUYNAKWNOPOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c17-13-6-7-14(15(18)12(13)8-9-22)21-10-16(19,20)11-4-2-1-3-5-11/h1-7,21-22H,8-10H2.
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol?
2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol has a molecular weight of 329.75 g/mol, XLogP of 4.22, 6 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-difluoro-2-phenylethyl)amino]-2-fluorophenyl]ethanol is sourced from PubChem (CID 22475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).