(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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Related Compounds

1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
CID 118330200
(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 167134960
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
(3-aminocyclopentyl) N-propan-2-ylcarbamate
CID 79465230
[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate
CID 163451146
cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 112738864
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
CID 130758492
[6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-propan-2-ylcarbamate
CID 3404455
(4-methylpiperidin-3-yl) N-propan-2-ylcarbamate
CID 102954801
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
spiro[2.4]heptan-2-yl N-methylcarbamate
CID 154437026
[(3aR,6R,7R,9aR,9bS)-6-(hydroxymethyl)-6,9a-dimethyl-2-oxo-3a,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-7-yl] N-propan-2-ylcarbamate
CID 44716992

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).