N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide

C14H18F3NO3 — CID 94144374

IUPACN-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
SMILESCc1ccc([C@@](O)(CCNC(=O)C2CCC2)C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3/c1-9-5-6-11(21-9)13(20,14(15,16)17)7-8-18-12(19)10-3-2-4-10/h5-6,10,20H,2-4,7-8H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyKFKNPVKIEKINRJ-ZDUSSCGKSA-N
MW305.30 g/mol
LogP2.64
Rot. Bonds5

About N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide

N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide (PubChem CID 94144374) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
PubChem CID94144374
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC NameN-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
SMILESCc1ccc([C@@](O)(CCNC(=O)C2CCC2)C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3/c1-9-5-6-11(21-9)13(20,14(15,16)17)7-8-18-12(19)10-3-2-4-10/h5-6,10,20H,2-4,7-8H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyKFKNPVKIEKINRJ-ZDUSSCGKSA-N
XLogP2.64
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
CID 94021046
(2S)-2-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperidine-1-carboxamide
CID 94050612
(2S)-2-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperidine-1-carboxamide
CID 94050611
N-[4-[1-[[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 43061381
4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide
CID 38789680
4-(2-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
CID 42954471
1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
CID 94050588
(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide
CID 97108925
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide
CID 38789086
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide (CID 94144374) is N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide is Cc1ccc([C@@](O)(CCNC(=O)C2CCC2)C(F)(F)F)o1.
What is the InChIKey of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide?
The InChIKey is KFKNPVKIEKINRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-9-5-6-11(21-9)13(20,14(15,16)17)7-8-18-12(19)10-3-2-4-10/h5-6,10,20H,2-4,7-8H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide?
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide is sourced from PubChem (CID 94144374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).