prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate

C14H17F3N2O2 — CID 25270031

IUPACprop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate
SMILESC=CCOC(=O)NC[C@@H](CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-2-7-21-13(20)19-9-11(8-18)10-3-5-12(6-4-10)14(15,16)17/h2-6,11H,1,7-9,18H2,(H,19,20)/t11-/m1/s1
InChIKeyMWVPGGHTSIVGBX-LLVKDONJSA-N
MW302.30 g/mol
LogP2.66
Rot. Bonds6

About prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate

prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate (PubChem CID 25270031) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate
PubChem CID25270031
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Nameprop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate
SMILESC=CCOC(=O)NC[C@@H](CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-2-7-21-13(20)19-9-11(8-18)10-3-5-12(6-4-10)14(15,16)17/h2-6,11H,1,7-9,18H2,(H,19,20)/t11-/m1/s1
InChIKeyMWVPGGHTSIVGBX-LLVKDONJSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate
CID 25270369
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate
CID 46186602
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
prop-2-enyl 3,3,3-trifluoro-2-(4-methoxyphenyl)propanoate
CID 71473221
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(prop-2-enoxycarbonylamino)acetic acid
CID 167726699
3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
[(2S)-2-(4-methylphenyl)hept-6-enyl] 3-[4-(trifluoromethyl)phenyl]propanoate
CID 11668558
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The IUPAC name of prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate (CID 25270031) is prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate is C=CCOC(=O)NC[C@@H](CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The InChIKey is MWVPGGHTSIVGBX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-7-21-13(20)19-9-11(8-18)10-3-5-12(6-4-10)14(15,16)17/h2-6,11H,1,7-9,18H2,(H,19,20)/t11-/m1/s1.
What are the key properties of prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate?
prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate has a molecular weight of 302.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 25270031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).