tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate

C14H18F3NO4 — CID 11186308

IUPACtert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO4/c1-13(2,3)22-12(20)18-8-11(19)9-4-6-10(7-5-9)21-14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyCEMBTLYUZJNTLB-NSHDSACASA-N
MW321.30 g/mol
LogP3.14
Rot. Bonds4

About tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate

tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate (PubChem CID 11186308) has the molecular formula C14H18F3NO4 and a molecular weight of 321.30 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate
PubChem CID11186308
Molecular FormulaC14H18F3NO4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Nametert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO4/c1-13(2,3)22-12(20)18-8-11(19)9-4-6-10(7-5-9)21-14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyCEMBTLYUZJNTLB-NSHDSACASA-N
XLogP3.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate (CID 11186308) is tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate?
The InChIKey is CEMBTLYUZJNTLB-NSHDSACASA-N. The full InChI is InChI=1S/C14H18F3NO4/c1-13(2,3)22-12(20)18-8-11(19)9-4-6-10(7-5-9)21-14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate?
tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate has a molecular weight of 321.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 11186308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).