propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate

C7H7F6NO2 — CID 14528356

IUPACpropyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
SMILESCCCOC(=O)N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6NO2/c1-2-3-16-5(15)14-4(6(8,9)10)7(11,12)13/h2-3H2,1H3
InChIKeyKGNFQOCHNMKZSY-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.10
Rot. Bonds2

About propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate

propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate (PubChem CID 14528356) has the molecular formula C7H7F6NO2 and a molecular weight of 251.13 g/mol. Its IUPAC name is propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate.

Molecular Properties

Compound Namepropyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
PubChem CID14528356
Molecular FormulaC7H7F6NO2
Molecular Weight251.13 g/mol
Exact Mass251.04
IUPAC Namepropyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
SMILESCCCOC(=O)N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6NO2/c1-2-3-16-5(15)14-4(6(8,9)10)7(11,12)13/h2-3H2,1H3
InChIKeyKGNFQOCHNMKZSY-UHFFFAOYSA-N
XLogP3.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The IUPAC name of propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate (CID 14528356) is propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate.
What is the SMILES notation for propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The canonical SMILES for propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is CCCOC(=O)N=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The InChIKey is KGNFQOCHNMKZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6NO2/c1-2-3-16-5(15)14-4(6(8,9)10)7(11,12)13/h2-3H2,1H3.
What are the key properties of propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate has a molecular weight of 251.13 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is sourced from PubChem (CID 14528356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).