(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate

C11H14F2N2O2 — CID 166839830

IUPAC(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate
SMILESCNC(C)(C)NC(=O)Oc1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,14-3)15-10(16)17-8-6-4-5-7(12)9(8)13/h4-6,14H,1-3H3,(H,15,16)
InChIKeySOLFKVYMRBILAE-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.01
Rot. Bonds3

About (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate

(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate (PubChem CID 166839830) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Name(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate
PubChem CID166839830
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate
SMILESCNC(C)(C)NC(=O)Oc1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,14-3)15-10(16)17-8-6-4-5-7(12)9(8)13/h4-6,14H,1-3H3,(H,15,16)
InChIKeySOLFKVYMRBILAE-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluorophenyl) carbamate
CID 154511519
(2,3-difluorophenyl) 2,2,3,3,3-pentafluoropropanoate
CID 88574556
methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
CID 22574219
ethyl 5-(2,3-difluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 63038197
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
1-(2,3-difluorophenyl)-3-methyl-3-(methylamino)butan-2-one
CID 116566564
(2,4,5-trifluorophenyl) N-tert-butylcarbamate
CID 127550277
(2S)-3-(2,3-difluorophenoxy)-2-(methylamino)propanoic acid
CID 170897243
2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid
CID 114993101
2-(2,3-difluorophenyl)-N,2-dimethylpropanamide
CID 168736963

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate?
The IUPAC name of (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate (CID 166839830) is (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate.
What is the SMILES notation for (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate?
The canonical SMILES for (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate is CNC(C)(C)NC(=O)Oc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate?
The InChIKey is SOLFKVYMRBILAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,14-3)15-10(16)17-8-6-4-5-7(12)9(8)13/h4-6,14H,1-3H3,(H,15,16).
What are the key properties of (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate?
(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate has a molecular weight of 244.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate is sourced from PubChem (CID 166839830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).