1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate

C12H15F2NO2 — CID 142678960

IUPAC1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate
SMILESCC(Cc1cc(F)cc(F)c1)OC(=O)N(C)C
InChIInChI=1S/C12H15F2NO2/c1-8(17-12(16)15(2)3)4-9-5-10(13)7-11(14)6-9/h5-8H,4H2,1-3H3
InChIKeyPUZHAQMKQICAKW-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.59
Rot. Bonds3

About 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate

1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate (PubChem CID 142678960) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate
PubChem CID142678960
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate
SMILESCC(Cc1cc(F)cc(F)c1)OC(=O)N(C)C
InChIInChI=1S/C12H15F2NO2/c1-8(17-12(16)15(2)3)4-9-5-10(13)7-11(14)6-9/h5-8H,4H2,1-3H3
InChIKeyPUZHAQMKQICAKW-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
CID 23589518
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
(2R)-1-(3,5-difluorophenyl)propane-2-sulfonic acid
CID 165179665
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
CID 145176133
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
3-[(3,5-difluorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 105402279
tert-butyl N-[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-N-methylcarbamate
CID 59738347
methyl (2S)-3-(3,5-difluorophenyl)-2-(tritioamino)propanoate
CID 58759908
(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 145175354
carboxy-[1-(3,5-difluorophenyl)ethyl]carbamic acid
CID 66955357
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
CID 151604845

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate?
The IUPAC name of 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate (CID 142678960) is 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate.
What is the SMILES notation for 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate?
The canonical SMILES for 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate is CC(Cc1cc(F)cc(F)c1)OC(=O)N(C)C.
What is the InChIKey of 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate?
The InChIKey is PUZHAQMKQICAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(17-12(16)15(2)3)4-9-5-10(13)7-11(14)6-9/h5-8H,4H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate?
1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate has a molecular weight of 243.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate is sourced from PubChem (CID 142678960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).