[(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol

C9H16F3NO — CID 171479002

IUPAC[(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol
SMILESC[C@@]1(CO)CN(CCF)CCC1(F)F
InChIInChI=1S/C9H16F3NO/c1-8(7-14)6-13(5-3-10)4-2-9(8,11)12/h14H,2-7H2,1H3/t8-/m0/s1
InChIKeyAAUVJWIJAGTWQX-QMMMGPOBSA-N
MW211.23 g/mol
LogP1.30
Rot. Bonds3

About [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol

[(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol (PubChem CID 171479002) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol
PubChem CID171479002
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol
SMILESC[C@@]1(CO)CN(CCF)CCC1(F)F
InChIInChI=1S/C9H16F3NO/c1-8(7-14)6-13(5-3-10)4-2-9(8,11)12/h14H,2-7H2,1H3/t8-/m0/s1
InChIKeyAAUVJWIJAGTWQX-QMMMGPOBSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol (CID 171479002) is [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol is C[C@@]1(CO)CN(CCF)CCC1(F)F.
What is the InChIKey of [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol?
The InChIKey is AAUVJWIJAGTWQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(7-14)6-13(5-3-10)4-2-9(8,11)12/h14H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol?
[(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-1-(2-fluoroethyl)-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 171479002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).