trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide

C6H8F3NO — CID 154876152

IUPACtrans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3(4)5(10)11/h3-4H,1-2H2,(H2,10,11)/t3-,4-/m1/s1
InChIKeyGGTAWWDUHCDUFV-QWWZWVQMSA-N
MW167.13 g/mol
LogP1.06
Rot. Bonds1

About trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide

trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 154876152) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID154876152
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Nametrans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3(4)5(10)11/h3-4H,1-2H2,(H2,10,11)/t3-,4-/m1/s1
InChIKeyGGTAWWDUHCDUFV-QWWZWVQMSA-N
XLogP1.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
cis-(1R,2R)-2-fluorocyclopropane-1-carboxamide
CID 119095885
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
2,3-dihydroxycyclopentane-1-carboxamide
CID 23103466
(3S,4S)-1-(1-cyclohexylazetidine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 128864559
trans-(1S,2S)-2-aminocyclobutane-1-carboxamide
CID 97301417
(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide
CID 25272838
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105107408
trans-(1R,2R)-2-aminocyclopropane-1-carboxamide
CID 89465194
(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120950751
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156
trans-(1S,2S)-2-acetylcyclobutane-1-carboxamide
CID 55290686

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide (CID 154876152) is trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide is NC(=O)[C@@H]1CC[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is GGTAWWDUHCDUFV-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3(4)5(10)11/h3-4H,1-2H2,(H2,10,11)/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide?
trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 167.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 154876152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).