(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate

C8H14FNO2 — CID 118330233

IUPAC(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CC1(C)F
InChIInChI=1S/C8H14FNO2/c1-5(2)10-7(11)12-6-4-8(6,3)9/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyVRDWDQDLXHDFNA-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.62
Rot. Bonds2

About (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate

(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate (PubChem CID 118330233) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate
PubChem CID118330233
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CC1(C)F
InChIInChI=1S/C8H14FNO2/c1-5(2)10-7(11)12-6-4-8(6,3)9/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyVRDWDQDLXHDFNA-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate (CID 118330233) is (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CC1(C)F.
What is the InChIKey of (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate?
The InChIKey is VRDWDQDLXHDFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5(2)10-7(11)12-6-4-8(6,3)9/h5-6H,4H2,1-3H3,(H,10,11).
What are the key properties of (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate?
(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate has a molecular weight of 175.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 118330233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).