[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate

C12H14F2N2O2 — CID 174983965

IUPAC[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate
SMILESNC(=O)OCc1c(F)ccc(F)c1CN1CCC1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-3-11(14)9(7-18-12(15)17)8(10)6-16-4-1-5-16/h2-3H,1,4-7H2,(H2,15,17)
InChIKeyCXMLWLHKQKAHHE-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.77
Rot. Bonds4

About [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate

[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate (PubChem CID 174983965) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate
PubChem CID174983965
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate
SMILESNC(=O)OCc1c(F)ccc(F)c1CN1CCC1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-3-11(14)9(7-18-12(15)17)8(10)6-16-4-1-5-16/h2-3H,1,4-7H2,(H2,15,17)
InChIKeyCXMLWLHKQKAHHE-UHFFFAOYSA-N
XLogP1.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3,6-trifluorophenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate
CID 6735891
1-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 756967
[7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl carbamate
CID 175378483
1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 154798410
2,4-difluoro-3-(morpholin-4-ylmethyl)phenol
CID 126778749
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanethioamide
CID 114930224
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
2-[4-[(3,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061399
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate?
The IUPAC name of [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate (CID 174983965) is [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate?
The canonical SMILES for [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate is NC(=O)OCc1c(F)ccc(F)c1CN1CCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate?
The InChIKey is CXMLWLHKQKAHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-10-2-3-11(14)9(7-18-12(15)17)8(10)6-16-4-1-5-16/h2-3H,1,4-7H2,(H2,15,17).
What are the key properties of [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate?
[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate has a molecular weight of 256.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methyl carbamate is sourced from PubChem (CID 174983965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).