1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate

C17H14F6N2O2 — CID 71656525

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
SMILESCN(Cc1cccc(-c2ccncc2)c1)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
InChIKeyRBZKWMMBPOHSDF-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.81
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate

1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate (PubChem CID 71656525) has the molecular formula C17H14F6N2O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
PubChem CID71656525
Molecular FormulaC17H14F6N2O2
Molecular Weight392.30 g/mol
Exact Mass392.10
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
SMILESCN(Cc1cccc(-c2ccncc2)c1)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
InChIKeyRBZKWMMBPOHSDF-UHFFFAOYSA-N
XLogP4.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate (CID 71656525) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate is CN(Cc1cccc(-c2ccncc2)c1)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
The InChIKey is RBZKWMMBPOHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate has a molecular weight of 392.30 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate is sourced from PubChem (CID 71656525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).