methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate

C5H9F2NO3 — CID 103769673

IUPACmethyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
SMILESCOC(=O)NCC(O)C(F)F
InChIInChI=1S/C5H9F2NO3/c1-11-5(10)8-2-3(9)4(6)7/h3-4,9H,2H2,1H3,(H,8,10)
InChIKeyDWXMJUZPAYYOMC-UHFFFAOYSA-N
MW169.13 g/mol
LogP-0.03
Rot. Bonds3

About methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate

methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate (PubChem CID 103769673) has the molecular formula C5H9F2NO3 and a molecular weight of 169.13 g/mol. Its IUPAC name is methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
PubChem CID103769673
Molecular FormulaC5H9F2NO3
Molecular Weight169.13 g/mol
Exact Mass169.06
IUPAC Namemethyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
SMILESCOC(=O)NCC(O)C(F)F
InChIInChI=1S/C5H9F2NO3/c1-11-5(10)8-2-3(9)4(6)7/h3-4,9H,2H2,1H3,(H,8,10)
InChIKeyDWXMJUZPAYYOMC-UHFFFAOYSA-N
XLogP-0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103881719
methyl N-(3-acetamido-2-hydroxypropyl)carbamate
CID 23527594
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
CID 103770448
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701

Frequently Asked Questions

What is the IUPAC name of methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
The IUPAC name of methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate (CID 103769673) is methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate.
What is the SMILES notation for methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
The canonical SMILES for methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate is COC(=O)NCC(O)C(F)F.
What is the InChIKey of methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
The InChIKey is DWXMJUZPAYYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3/c1-11-5(10)8-2-3(9)4(6)7/h3-4,9H,2H2,1H3,(H,8,10).
What are the key properties of methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate?
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate has a molecular weight of 169.13 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate is sourced from PubChem (CID 103769673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).