ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate

C10H18F3NO2 — CID 64591828

IUPACethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOC(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C10H18F3NO2/c1-4-8(5-2)14(7-10(11,12)13)9(15)16-6-3/h8H,4-7H2,1-3H3
InChIKeyLJPVSXZKOJBQQV-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.20
Rot. Bonds5

About ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate

ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 64591828) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nameethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID64591828
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Nameethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOC(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C10H18F3NO2/c1-4-8(5-2)14(7-10(11,12)13)9(15)16-6-3/h8H,4-7H2,1-3H3
InChIKeyLJPVSXZKOJBQQV-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
phenyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591515
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
3-methyl-5-oxo-5-[pentan-3-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 62965772
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55122690
1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 54872186
(E)-4-oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]but-2-enoic acid
CID 54875345
4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61110041
ethyl N-[bis(ethoxycarbonyl)amino]-N-(trifluoromethyl)carbamate
CID 174359195

Frequently Asked Questions

What is the IUPAC name of ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate (CID 64591828) is ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate is CCOC(=O)N(CC(F)(F)F)C(CC)CC.
What is the InChIKey of ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is LJPVSXZKOJBQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-8(5-2)14(7-10(11,12)13)9(15)16-6-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 241.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 64591828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).