methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate

C5H9F2NO2 — CID 139305686

IUPACmethyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-3(4(6)7)8-5(9)10-2/h3-4H,1-2H3,(H,8,9)/t3-/m1/s1
InChIKeyQSSLXANRWYDMKB-GSVOUGTGSA-N
MW153.13 g/mol
LogP1.00
Rot. Bonds2

About methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate

methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate (PubChem CID 139305686) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
PubChem CID139305686
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Namemethyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-3(4(6)7)8-5(9)10-2/h3-4H,1-2H3,(H,8,9)/t3-/m1/s1
InChIKeyQSSLXANRWYDMKB-GSVOUGTGSA-N
XLogP1.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl N-[(1R)-1-phosphanylethyl]carbamate
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methyl 2-(1,1-difluoropropan-2-ylamino)propanoate
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methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
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methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
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methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
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(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
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tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
methyl N-[(2S)-3-methyl-1-(3-methylbutan-2-ylamino)-1-oxobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate (CID 139305686) is methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate is COC(=O)N[C@H](C)C(F)F.
What is the InChIKey of methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate?
The InChIKey is QSSLXANRWYDMKB-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-3(4(6)7)8-5(9)10-2/h3-4H,1-2H3,(H,8,9)/t3-/m1/s1.
What are the key properties of methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate?
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate has a molecular weight of 153.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate is sourced from PubChem (CID 139305686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).