N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide

C14H20F3NO6 — CID 39355417

IUPACN-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide
SMILESCC1(C)O[C@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@H](NC(=O)C(F)(F)F)[C@H]2O1
InChIInChI=1S/C14H20F3NO6/c1-12(2)20-5-6(22-12)8-7(18-11(19)14(15,16)17)9-10(21-8)24-13(3,4)23-9/h6-10H,5H2,1-4H3,(H,18,19)/t6-,7-,8+,9+,10+/m0/s1
InChIKeyBPJQTFCUDMTMHX-SRQGCSHVSA-N
MW355.31 g/mol
LogP1.06
Rot. Bonds2

About N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide

N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide (PubChem CID 39355417) has the molecular formula C14H20F3NO6 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide
PubChem CID39355417
Molecular FormulaC14H20F3NO6
Molecular Weight355.31 g/mol
Exact Mass355.12
IUPAC NameN-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide
SMILESCC1(C)O[C@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@H](NC(=O)C(F)(F)F)[C@H]2O1
InChIInChI=1S/C14H20F3NO6/c1-12(2)20-5-6(22-12)8-7(18-11(19)14(15,16)17)9-10(21-8)24-13(3,4)23-9/h6-10H,5H2,1-4H3,(H,18,19)/t6-,7-,8+,9+,10+/m0/s1
InChIKeyBPJQTFCUDMTMHX-SRQGCSHVSA-N
XLogP1.06
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide (CID 39355417) is N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide is CC1(C)O[C@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@H](NC(=O)C(F)(F)F)[C@H]2O1.
What is the InChIKey of N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide?
The InChIKey is BPJQTFCUDMTMHX-SRQGCSHVSA-N. The full InChI is InChI=1S/C14H20F3NO6/c1-12(2)20-5-6(22-12)8-7(18-11(19)14(15,16)17)9-10(21-8)24-13(3,4)23-9/h6-10H,5H2,1-4H3,(H,18,19)/t6-,7-,8+,9+,10+/m0/s1.
What are the key properties of N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide?
N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide has a molecular weight of 355.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 39355417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).