2-fluoroethyl N,N-di(propan-2-yl)carbamate

C9H18FNO2 — CID 88996348

IUPAC2-fluoroethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCCF)C(C)C
InChIInChI=1S/C9H18FNO2/c1-7(2)11(8(3)4)9(12)13-6-5-10/h7-8H,5-6H2,1-4H3
InChIKeyZSHQINJCODIDLD-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.21
Rot. Bonds4

About 2-fluoroethyl N,N-di(propan-2-yl)carbamate

2-fluoroethyl N,N-di(propan-2-yl)carbamate (PubChem CID 88996348) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-fluoroethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N,N-di(propan-2-yl)carbamate
PubChem CID88996348
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name2-fluoroethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCCF)C(C)C
InChIInChI=1S/C9H18FNO2/c1-7(2)11(8(3)4)9(12)13-6-5-10/h7-8H,5-6H2,1-4H3
InChIKeyZSHQINJCODIDLD-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 2-fluoroethyl N,N-di(propan-2-yl)carbamate (CID 88996348) is 2-fluoroethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 2-fluoroethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 2-fluoroethyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCCF)C(C)C.
What is the InChIKey of 2-fluoroethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is ZSHQINJCODIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-7(2)11(8(3)4)9(12)13-6-5-10/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-fluoroethyl N,N-di(propan-2-yl)carbamate?
2-fluoroethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 191.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 88996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).