2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate

C12H15F2NO2 — CID 142678958

IUPAC2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(2)15-12(16)17-4-3-9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyBRDROBSZEZMYHL-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.64
Rot. Bonds4

About 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate

2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate (PubChem CID 142678958) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate
PubChem CID142678958
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(2)15-12(16)17-4-3-9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyBRDROBSZEZMYHL-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, methyl-, 3-phenylpropyl ester
CID 56203
Carbamic acid, isopropyl-, 3-phenylpropyl ester
CID 56352
Carbamic acid, propyl-, 3-phenylpropyl ester
CID 56353
(4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 1716417
Carbamic acid, (2-(diethylamino)ethyl)-, phenethyl ester, monohydrochloride
CID 58443
Carbamic acid, (2-(dimethylamino)ethyl)-, phenethyl ester, monohydrochloride
CID 58448
benzyl N-ethylcarbamate
CID 12384304
(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate
CID 935554
benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 2836454
CBZ-Ala-F
CID 11195461
4-phenylbutan-2-yl N-(2,2,2-trifluoroethyl)carbamate
CID 70951772
3-phenylpropyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951813

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate (CID 142678958) is 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate?
The InChIKey is BRDROBSZEZMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(2)15-12(16)17-4-3-9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate?
2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate has a molecular weight of 243.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 142678958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).