[1-(trifluoromethyl)cyclopropyl]methyl carbamate

C6H8F3NO2 — CID 151400404

IUPAC[1-(trifluoromethyl)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(1-2-5)3-12-4(10)11/h1-3H2,(H2,10,11)
InChIKeyOWJADNMMDJYTCM-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.42
Rot. Bonds2

About [1-(trifluoromethyl)cyclopropyl]methyl carbamate

[1-(trifluoromethyl)cyclopropyl]methyl carbamate (PubChem CID 151400404) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methyl carbamate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methyl carbamate
PubChem CID151400404
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(1-2-5)3-12-4(10)11/h1-3H2,(H2,10,11)
InChIKeyOWJADNMMDJYTCM-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 130944302
1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
CID 176677829
ethyl 2-[[1-(trifluoromethyl)cyclopropyl]methylsulfanyl]acetate
CID 146442051
N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
CID 169105569
1-(methoxymethyl)-1-(trifluoromethyl)cyclopropane;1-piperidin-1-ylbutan-1-one
CID 164604055
2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine
CID 170758912
2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate
CID 64687567
(1-cyanocyclopropyl)methyl carbamate
CID 141209968
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
(1-ethylcyclobutyl)methyl carbamate
CID 59266818
N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
CID 131039188
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide
CID 130626225

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methyl carbamate?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methyl carbamate (CID 151400404) is [1-(trifluoromethyl)cyclopropyl]methyl carbamate.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methyl carbamate?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methyl carbamate is NC(=O)OCC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methyl carbamate?
The InChIKey is OWJADNMMDJYTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(1-2-5)3-12-4(10)11/h1-3H2,(H2,10,11).
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methyl carbamate?
[1-(trifluoromethyl)cyclopropyl]methyl carbamate has a molecular weight of 183.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methyl carbamate is sourced from PubChem (CID 151400404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).