1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride

C16H23ClF10N2O — CID 142768060

IUPAC1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CCN(C[C@H](O[C@@H](CN2CCC(F)(F)CC2)C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C16H22F10N2O.ClH/c17-13(18)1-5-27(6-2-13)9-11(15(21,22)23)29-12(16(24,25)26)10-28-7-3-14(19,20)4-8-28;/h11-12H,1-10H2;1H/t11-,12-;/m0./s1
InChIKeySPYMTJCDYJPEON-FXMYHANSSA-N
MW484.81 g/mol
LogP4.75
Rot. Bonds6

About 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride

1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride (PubChem CID 142768060) has the molecular formula C16H23ClF10N2O and a molecular weight of 484.81 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride
PubChem CID142768060
Molecular FormulaC16H23ClF10N2O
Molecular Weight484.81 g/mol
Exact Mass484.13
IUPAC Name1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CCN(C[C@H](O[C@@H](CN2CCC(F)(F)CC2)C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C16H22F10N2O.ClH/c17-13(18)1-5-27(6-2-13)9-11(15(21,22)23)29-12(16(24,25)26)10-28-7-3-14(19,20)4-8-28;/h11-12H,1-10H2;1H/t11-,12-;/m0./s1
InChIKeySPYMTJCDYJPEON-FXMYHANSSA-N
XLogP4.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.81
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride?
The IUPAC name of 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride (CID 142768060) is 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride.
What is the SMILES notation for 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride?
The canonical SMILES for 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride is Cl.FC1(F)CCN(C[C@H](O[C@@H](CN2CCC(F)(F)CC2)C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride?
The InChIKey is SPYMTJCDYJPEON-FXMYHANSSA-N. The full InChI is InChI=1S/C16H22F10N2O.ClH/c17-13(18)1-5-27(6-2-13)9-11(15(21,22)23)29-12(16(24,25)26)10-28-7-3-14(19,20)4-8-28;/h11-12H,1-10H2;1H/t11-,12-;/m0./s1.
What are the key properties of 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride?
1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride has a molecular weight of 484.81 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]-4,4-difluoropiperidine;hydrochloride is sourced from PubChem (CID 142768060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).