tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate

C14H28F2N2O2 — CID 107256508

IUPACtert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)C(F)F
InChIInChI=1S/C14H28F2N2O2/c1-6-7-8-11(18-10(2)12(15)16)9-17-13(19)20-14(3,4)5/h10-12,18H,6-9H2,1-5H3,(H,17,19)
InChIKeyJNFBUWDTSMOYHN-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.31
Rot. Bonds8

About tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate

tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate (PubChem CID 107256508) has the molecular formula C14H28F2N2O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
PubChem CID107256508
Molecular FormulaC14H28F2N2O2
Molecular Weight294.39 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)C(F)F
InChIInChI=1S/C14H28F2N2O2/c1-6-7-8-11(18-10(2)12(15)16)9-17-13(19)20-14(3,4)5/h10-12,18H,6-9H2,1-5H3,(H,17,19)
InChIKeyJNFBUWDTSMOYHN-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate (CID 107256508) is tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC(C)C(F)F.
What is the InChIKey of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate?
The InChIKey is JNFBUWDTSMOYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O2/c1-6-7-8-11(18-10(2)12(15)16)9-17-13(19)20-14(3,4)5/h10-12,18H,6-9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate?
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate is sourced from PubChem (CID 107256508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).