3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide

C14H16F3NO3 — CID 97147039

IUPAC3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)CC(F)(F)F)C2
InChIInChI=1S/C14H16F3NO3/c1-20-11-3-2-10-4-9(8-21-12(10)5-11)7-18-13(19)6-14(15,16)17/h2-3,5,9H,4,6-8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyHFAJUTLZWFHQCW-SECBINFHSA-N
MW303.28 g/mol
LogP2.31
Rot. Bonds4

About 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide

3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide (PubChem CID 97147039) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
PubChem CID97147039
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)CC(F)(F)F)C2
InChIInChI=1S/C14H16F3NO3/c1-20-11-3-2-10-4-9(8-21-12(10)5-11)7-18-13(19)6-14(15,16)17/h2-3,5,9H,4,6-8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyHFAJUTLZWFHQCW-SECBINFHSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide (CID 97147039) is 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)CC(F)(F)F)C2.
What is the InChIKey of 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide?
The InChIKey is HFAJUTLZWFHQCW-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-20-11-3-2-10-4-9(8-21-12(10)5-11)7-18-13(19)6-14(15,16)17/h2-3,5,9H,4,6-8H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide?
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide has a molecular weight of 303.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide is sourced from PubChem (CID 97147039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).