1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide

C10H13F3N2O — CID 164821478

IUPAC1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)C1(C#N)CC1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-6(2)7(10(11,12)13)15-8(16)9(5-14)3-4-9/h6-7H,3-4H2,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyMAPMZAMGVDQMIV-ZETCQYMHSA-N
MW234.22 g/mol
LogP1.99
Rot. Bonds3

About 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide

1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 164821478) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID164821478
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)C1(C#N)CC1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-6(2)7(10(11,12)13)15-8(16)9(5-14)3-4-9/h6-7H,3-4H2,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyMAPMZAMGVDQMIV-ZETCQYMHSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580296
N-(3-methylbutyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580307
N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580325
N-[(2S)-3-methylbutan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580329
1-(trifluoromethyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]cyclopropane-1-carboxamide
CID 57580351
N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 76610384
N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide
CID 89207470
N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 89207499
N-(2,2-difluorocyclopropyl)-3-methylbutanamide
CID 89981831
2-cyano-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 118690450
2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide
CID 118690673
N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 130291730

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide (CID 164821478) is 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide is CC(C)[C@H](NC(=O)C1(C#N)CC1)C(F)(F)F.
What is the InChIKey of 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MAPMZAMGVDQMIV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(2)7(10(11,12)13)15-8(16)9(5-14)3-4-9/h6-7H,3-4H2,1-2H3,(H,15,16)/t7-/m0/s1.
What are the key properties of 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164821478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).