tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate

C16H30F2N2O3 — CID 107257379

IUPACtert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate
SMILESCCC1(C)CC(NCC(F)(F)CNC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H30F2N2O3/c1-6-15(5)9-12(7-8-22-15)19-10-16(17,18)11-20-13(21)23-14(2,3)4/h12,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyRMWDUKNRYGKIKF-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate (PubChem CID 107257379) has the molecular formula C16H30F2N2O3 and a molecular weight of 336.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate
PubChem CID107257379
Molecular FormulaC16H30F2N2O3
Molecular Weight336.42 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate
SMILESCCC1(C)CC(NCC(F)(F)CNC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H30F2N2O3/c1-6-15(5)9-12(7-8-22-15)19-10-16(17,18)11-20-13(21)23-14(2,3)4/h12,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyRMWDUKNRYGKIKF-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate (CID 107257379) is tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate is CCC1(C)CC(NCC(F)(F)CNC(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate?
The InChIKey is RMWDUKNRYGKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O3/c1-6-15(5)9-12(7-8-22-15)19-10-16(17,18)11-20-13(21)23-14(2,3)4/h12,19H,6-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate has a molecular weight of 336.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).