[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate

C12H15F2NO2 — CID 146267247

IUPAC[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate
SMILESCN(Cc1ccccc1)C(COC=O)C(F)F
InChIInChI=1S/C12H15F2NO2/c1-15(7-10-5-3-2-4-6-10)11(12(13)14)8-17-9-16/h2-6,9,11-12H,7-8H2,1H3
InChIKeyRFUIDFDLTZOXLQ-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.93
Rot. Bonds7

About [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate

[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate (PubChem CID 146267247) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate
PubChem CID146267247
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate
SMILESCN(Cc1ccccc1)C(COC=O)C(F)F
InChIInChI=1S/C12H15F2NO2/c1-15(7-10-5-3-2-4-6-10)11(12(13)14)8-17-9-16/h2-6,9,11-12H,7-8H2,1H3
InChIKeyRFUIDFDLTZOXLQ-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol
CID 146267203
methyl 2-[benzyl(methyl)amino]-3-formyloxypropanoate
CID 146267206
2-(dibenzylamino)ethyl formate
CID 24829039
N-benzyl-N-methylbutan-2-amine
CID 15496809
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
CID 118067597
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
2-[benzyl(methyl)amino]propyl carbonochloridate
CID 22165929
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
ethylbenzene;ethyl formate
CID 123765960
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N,N-dimethyl-2-phenylethanamine;ethyl formate
CID 158758698
2-[benzyl(methyl)amino]but-3-enoic acid
CID 130492243

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate?
The IUPAC name of [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate (CID 146267247) is [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate?
The canonical SMILES for [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate is CN(Cc1ccccc1)C(COC=O)C(F)F.
What is the InChIKey of [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate?
The InChIKey is RFUIDFDLTZOXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-15(7-10-5-3-2-4-6-10)11(12(13)14)8-17-9-16/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate?
[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate has a molecular weight of 243.25 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate is sourced from PubChem (CID 146267247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).