(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol

C16H15ClF2O2 — CID 104893422

IUPAC(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCC(F)(F)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15ClF2O2/c1-11(20)12-7-8-15(14(17)9-12)21-10-16(18,19)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3/t11-/m1/s1
InChIKeyIGSFLKNLRSBERS-LLVKDONJSA-N
MW312.74 g/mol
LogP4.56
Rot. Bonds5

About (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol

(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol (PubChem CID 104893422) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
PubChem CID104893422
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCC(F)(F)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15ClF2O2/c1-11(20)12-7-8-15(14(17)9-12)21-10-16(18,19)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3/t11-/m1/s1
InChIKeyIGSFLKNLRSBERS-LLVKDONJSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 104893345
(1S)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 104893346
1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 116789730
[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine
CID 116788441
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
2-chloro-1-(2-fluoro-2-methylpropoxy)-4-propan-2-ylbenzene
CID 121387225
2-[4-(2,2-difluoro-2-phenylethoxy)-3-fluorophenyl]butanoic acid
CID 67538441
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
(1R)-1-[3-chloro-4-(3-methylsulfanylpropoxy)phenyl]ethanol
CID 104863661
(1S)-1-[4-(2-tert-butylsulfonylethoxy)-3-chlorophenyl]ethanol
CID 106726351
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol (CID 104893422) is (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(OCC(F)(F)c2ccccc2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
The InChIKey is IGSFLKNLRSBERS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c1-11(20)12-7-8-15(14(17)9-12)21-10-16(18,19)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol has a molecular weight of 312.74 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol is sourced from PubChem (CID 104893422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).