tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate

C8H15F2NO3 — CID 71755389

IUPACtert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(F)F
InChIInChI=1S/C8H15F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h5-6,12H,4H2,1-3H3,(H,11,13)
InChIKeyBSVYMPGKVFFBKO-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.14
Rot. Bonds3

About tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate

tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate (PubChem CID 71755389) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
PubChem CID71755389
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Nametert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(F)F
InChIInChI=1S/C8H15F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h5-6,12H,4H2,1-3H3,(H,11,13)
InChIKeyBSVYMPGKVFFBKO-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-hydroxyethyl)carbamate
CID 2733206
tert-butyl N-(2-hydroxypropyl)carbamate
CID 9920508
N-Boc-(S)-1-amino-2-propanol
CID 11789722
tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
CID 519356
Tert-butyl (2-hydroxybutyl)carbamate
CID 10198004
tert-butyl N-{3-[(tert-butoxycarbonyl)amino]-2-hydroxypropyl}carbamate
CID 375632
tert-butyl N-(3-amino-2-hydroxypropyl)carbamate
CID 10511887
tert-butyl N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)carbamate
CID 10610231
tert-butyl N-[(2S,3S)-3-hydroxybutan-2-yl]carbamate
CID 10921308
tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate
CID 11183099
tert-butyl N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
CID 46864108
tert-butyl N-(2-hydroxy-3-(methylamino)propyl)carbamate
CID 58981742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate (CID 71755389) is tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate is CC(C)(C)OC(=O)NCC(O)C(F)F.
What is the InChIKey of tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
The InChIKey is BSVYMPGKVFFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h5-6,12H,4H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate has a molecular weight of 211.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate is sourced from PubChem (CID 71755389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).