2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate

C13H20F3NO2 — CID 61066671

IUPAC2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
SMILESO=C(OCC(F)(F)F)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)9-19-12(18)17(11-6-7-11)8-10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKeyRETGSXBZTNZXAV-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.73
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate

2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate (PubChem CID 61066671) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
PubChem CID61066671
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
SMILESO=C(OCC(F)(F)F)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)9-19-12(18)17(11-6-7-11)8-10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKeyRETGSXBZTNZXAV-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
CID 112738754
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
ethyl N-cyclopropyl-N-(cyclopropylmethyl)carbamate
CID 63101705
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 61264857
ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 65173932
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
CID 54876535
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 54873047
(2S)-2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 61174275
propan-2-yl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 163411592

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate (CID 61066671) is 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate is O=C(OCC(F)(F)F)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate?
The InChIKey is RETGSXBZTNZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)9-19-12(18)17(11-6-7-11)8-10-4-2-1-3-5-10/h10-11H,1-9H2.
What are the key properties of 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate?
2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate has a molecular weight of 279.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 61066671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).