4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine

C15H16F3NO — CID 71242630

IUPAC4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine
SMILESFC(F)(F)c1ccc2c(c1)OCCC2=C1CCNCC1
InChIInChI=1S/C15H16F3NO/c16-15(17,18)11-1-2-13-12(5-8-20-14(13)9-11)10-3-6-19-7-4-10/h1-2,9,19H,3-8H2
InChIKeyGKKNNBBCWMMODO-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.62
Rot. Bonds

About 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine

4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine (PubChem CID 71242630) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine.

Molecular Properties

Compound Name4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine
PubChem CID71242630
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine
SMILESFC(F)(F)c1ccc2c(c1)OCCC2=C1CCNCC1
InChIInChI=1S/C15H16F3NO/c16-15(17,18)11-1-2-13-12(5-8-20-14(13)9-11)10-3-6-19-7-4-10/h1-2,9,19H,3-8H2
InChIKeyGKKNNBBCWMMODO-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine?
The IUPAC name of 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine (CID 71242630) is 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine.
What is the SMILES notation for 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine?
The canonical SMILES for 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine is FC(F)(F)c1ccc2c(c1)OCCC2=C1CCNCC1.
What is the InChIKey of 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine?
The InChIKey is GKKNNBBCWMMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c16-15(17,18)11-1-2-13-12(5-8-20-14(13)9-11)10-3-6-19-7-4-10/h1-2,9,19H,3-8H2.
What are the key properties of 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine?
4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine has a molecular weight of 283.29 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine is sourced from PubChem (CID 71242630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).