phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate

C11H10F3NO4 — CID 680729

IUPACphenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
SMILESO=C(NC1(C(F)(F)F)OCCO1)Oc1ccccc1
InChIInChI=1S/C11H10F3NO4/c12-10(13,14)11(17-6-7-18-11)15-9(16)19-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeySDHPANGKAXHBKS-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.04
Rot. Bonds2

About phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate

phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate (PubChem CID 680729) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
PubChem CID680729
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Namephenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
SMILESO=C(NC1(C(F)(F)F)OCCO1)Oc1ccccc1
InChIInChI=1S/C11H10F3NO4/c12-10(13,14)11(17-6-7-18-11)15-9(16)19-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeySDHPANGKAXHBKS-UHFFFAOYSA-N
XLogP2.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl (2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)carbamate
CID 757726
4-Methylphenyl 2-(trifluoromethyl)-1,3-dioxolan-2-ylcarbamate
CID 2303438
(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate
CID 2331776
Phenyl [2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
CID 888654
Methyl [2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
CID 1540599
ethyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
CID 1540518
propan-2-yl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
CID 1540536
2-Phenoxyethyl N-[1,1-bis(trifluoromethyl)propyl]carbamate
CID 4152444
2-Phenoxyethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 4203999
2-phenoxyethyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 4528160
phenyl N-(2,2,2-trifluoroacetyl)carbamate
CID 713766
phenyl N-(2,2,2-trifluoroethyl)carbamate
CID 13648496

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The IUPAC name of phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate (CID 680729) is phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The canonical SMILES for phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate is O=C(NC1(C(F)(F)F)OCCO1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The InChIKey is SDHPANGKAXHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c12-10(13,14)11(17-6-7-18-11)15-9(16)19-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate has a molecular weight of 277.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate is sourced from PubChem (CID 680729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).