(propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate

C7H9F5N2O3 — CID 141116206

IUPAC(propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate
SMILESCCC(=O)NOC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5N2O3/c1-2-4(15)14-17-5(16)13-3-6(8,9)7(10,11)12/h2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyKSWRVTCDDCRKBT-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.35
Rot. Bonds3

About (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate

(propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate (PubChem CID 141116206) has the molecular formula C7H9F5N2O3 and a molecular weight of 264.15 g/mol. Its IUPAC name is (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate.

Molecular Properties

Compound Name(propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate
PubChem CID141116206
Molecular FormulaC7H9F5N2O3
Molecular Weight264.15 g/mol
Exact Mass264.05
IUPAC Name(propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate
SMILESCCC(=O)NOC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5N2O3/c1-2-4(15)14-17-5(16)13-3-6(8,9)7(10,11)12/h2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyKSWRVTCDDCRKBT-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-methyl-3-oxo-3-(2,2,3,3,3-pentafluoropropylamino)propanoate
CID 86605288
2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
CID 141285834
2,2,2-trifluoroethylcarbamoyl N-(2,2,2-trifluoroethyl)carbamate
CID 175955697
7,7,8,8,8-pentafluorooctane-3,5-dione
CID 130395599
ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate
CID 87121782
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110

Frequently Asked Questions

What is the IUPAC name of (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate?
The IUPAC name of (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate (CID 141116206) is (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate.
What is the SMILES notation for (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate?
The canonical SMILES for (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate is CCC(=O)NOC(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate?
The InChIKey is KSWRVTCDDCRKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5N2O3/c1-2-4(15)14-17-5(16)13-3-6(8,9)7(10,11)12/h2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate?
(propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate has a molecular weight of 264.15 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propanoylamino) N-(2,2,3,3,3-pentafluoropropyl)carbamate is sourced from PubChem (CID 141116206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).