propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate

C9H16FNO2 — CID 160821791

IUPACpropan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)N[C@H]1C[C@@H]1C(C)F
InChIInChI=1S/C9H16FNO2/c1-5(2)13-9(12)11-8-4-7(8)6(3)10/h5-8H,4H2,1-3H3,(H,11,12)/t6?,7-,8+/m1/s1
InChIKeyCHNWOOBSNGNSKS-VVXQKDJTSA-N
MW189.23 g/mol
LogP1.87
Rot. Bonds3

About propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate

propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate (PubChem CID 160821791) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate
PubChem CID160821791
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namepropan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)N[C@H]1C[C@@H]1C(C)F
InChIInChI=1S/C9H16FNO2/c1-5(2)13-9(12)11-8-4-7(8)6(3)10/h5-8H,4H2,1-3H3,(H,11,12)/t6?,7-,8+/m1/s1
InChIKeyCHNWOOBSNGNSKS-VVXQKDJTSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate?
The IUPAC name of propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate (CID 160821791) is propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate is CC(C)OC(=O)N[C@H]1C[C@@H]1C(C)F.
What is the InChIKey of propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate?
The InChIKey is CHNWOOBSNGNSKS-VVXQKDJTSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-5(2)13-9(12)11-8-4-7(8)6(3)10/h5-8H,4H2,1-3H3,(H,11,12)/t6?,7-,8+/m1/s1.
What are the key properties of propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate?
propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate has a molecular weight of 189.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate is sourced from PubChem (CID 160821791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).