[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane

C17H32F3NO — CID 177009282

IUPAC[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane
SMILESCC.CC.CC(=CF)C1CCN(CC2(CO)CC2(F)F)CC1
InChIInChI=1S/C13H20F3NO.2C2H6/c1-10(6-14)11-2-4-17(5-3-11)8-12(9-18)7-13(12,15)16;2*1-2/h6,11,18H,2-5,7-9H2,1H3;2*1-2H3
InChIKeyQZYMLEVHPYISOO-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.64
Rot. Bonds4

About [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane

[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane (PubChem CID 177009282) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane
PubChem CID177009282
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC Name[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane
SMILESCC.CC.CC(=CF)C1CCN(CC2(CO)CC2(F)F)CC1
InChIInChI=1S/C13H20F3NO.2C2H6/c1-10(6-14)11-2-4-17(5-3-11)8-12(9-18)7-13(12,15)16;2*1-2/h6,11,18H,2-5,7-9H2,1H3;2*1-2H3
InChIKeyQZYMLEVHPYISOO-UHFFFAOYSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane?
The IUPAC name of [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane (CID 177009282) is [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane.
What is the SMILES notation for [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane?
The canonical SMILES for [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane is CC.CC.CC(=CF)C1CCN(CC2(CO)CC2(F)F)CC1.
What is the InChIKey of [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane?
The InChIKey is QZYMLEVHPYISOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO.2C2H6/c1-10(6-14)11-2-4-17(5-3-11)8-12(9-18)7-13(12,15)16;2*1-2/h6,11,18H,2-5,7-9H2,1H3;2*1-2H3.
What are the key properties of [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane?
[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane has a molecular weight of 323.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane is sourced from PubChem (CID 177009282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).