tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate

C16H30F2N2O2 — CID 107257467

IUPACtert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
SMILESCC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H30F2N2O2/c1-12(13-8-6-5-7-9-13)19-10-16(17,18)11-20-14(21)22-15(2,3)4/h12-13,19H,5-11H2,1-4H3,(H,20,21)
InChIKeyPRYHMLZICFDOJK-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.70
Rot. Bonds6

About tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate

tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate (PubChem CID 107257467) has the molecular formula C16H30F2N2O2 and a molecular weight of 320.42 g/mol. Its IUPAC name is tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
PubChem CID107257467
Molecular FormulaC16H30F2N2O2
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC Nametert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
SMILESCC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H30F2N2O2/c1-12(13-8-6-5-7-9-13)19-10-16(17,18)11-20-14(21)22-15(2,3)4/h12-13,19H,5-11H2,1-4H3,(H,20,21)
InChIKeyPRYHMLZICFDOJK-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
CID 104955597
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate (CID 107257467) is tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate is CC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate?
The InChIKey is PRYHMLZICFDOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O2/c1-12(13-8-6-5-7-9-13)19-10-16(17,18)11-20-14(21)22-15(2,3)4/h12-13,19H,5-11H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate has a molecular weight of 320.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).