[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

C10H11F3N2O2 — CID 66611869

IUPAC[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESNCC(NC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)8(5-14)15-9(16)17/h1-4,8,15H,5,14H2,(H,16,17)
InChIKeyMAURWDOSXXYTCI-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.97
Rot. Bonds3

About [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid (PubChem CID 66611869) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
PubChem CID66611869
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESNCC(NC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)8(5-14)15-9(16)17/h1-4,8,15H,5,14H2,(H,16,17)
InChIKeyMAURWDOSXXYTCI-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The IUPAC name of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid (CID 66611869) is [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The canonical SMILES for [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid is NCC(NC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The InChIKey is MAURWDOSXXYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)8(5-14)15-9(16)17/h1-4,8,15H,5,14H2,(H,16,17).
What are the key properties of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid has a molecular weight of 248.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 66611869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).