2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate

C7H13F2NO4 — CID 107494877

IUPAC2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESO=C(OCCO)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO4/c8-6(9)5-10(1-2-11)7(13)14-4-3-12/h6,11-12H,1-5H2
InChIKeyFCPPDUIBELSYJU-UHFFFAOYSA-N
MW213.18 g/mol
LogP-0.33
Rot. Bonds6

About 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate

2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 107494877) has the molecular formula C7H13F2NO4 and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
PubChem CID107494877
Molecular FormulaC7H13F2NO4
Molecular Weight213.18 g/mol
Exact Mass213.08
IUPAC Name2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESO=C(OCCO)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO4/c8-6(9)5-10(1-2-11)7(13)14-4-3-12/h6,11-12H,1-5H2
InChIKeyFCPPDUIBELSYJU-UHFFFAOYSA-N
XLogP-0.33
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (CID 107494877) is 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is O=C(OCCO)N(CCO)CC(F)F.
What is the InChIKey of 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is FCPPDUIBELSYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4/c8-6(9)5-10(1-2-11)7(13)14-4-3-12/h6,11-12H,1-5H2.
What are the key properties of 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 213.18 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 107494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).