N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide

C11H18F3NO2 — CID 167135264

IUPACN-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1(COC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-7(2)8(3)15-9(16)10(4-5-10)6-17-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyOJDALSYTCANQON-MRVPVSSYSA-N
MW253.26 g/mol
LogP2.46
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide

N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide (PubChem CID 167135264) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
PubChem CID167135264
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1(COC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-7(2)8(3)15-9(16)10(4-5-10)6-17-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyOJDALSYTCANQON-MRVPVSSYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 165063753
1-(hydroxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 164555229
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602
N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60702100
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-(3-methylbutan-2-yl)-2-[(1-propan-2-ylcyclopropyl)methylamino]acetamide
CID 114113618
(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927172

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide (CID 167135264) is N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide is CC(C)[C@@H](C)NC(=O)C1(COC(F)(F)F)CC1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is OJDALSYTCANQON-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7(2)8(3)15-9(16)10(4-5-10)6-17-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167135264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).