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

C13H20F3NO — CID 177009283

IUPAC[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESCC(=CF)C1CCN(CC2(CO)CC2(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-10(6-14)11-2-4-17(5-3-11)8-12(9-18)7-13(12,15)16/h6,11,18H,2-5,7-9H2,1H3
InChIKeyHLFVBROGQKRHGJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.59
Rot. Bonds4

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

[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 177009283) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID177009283
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESCC(=CF)C1CCN(CC2(CO)CC2(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-10(6-14)11-2-4-17(5-3-11)8-12(9-18)7-13(12,15)16/h6,11,18H,2-5,7-9H2,1H3
InChIKeyHLFVBROGQKRHGJ-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.59
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?
The IUPAC name of [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol (CID 177009283) is [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol is 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?
The InChIKey is HLFVBROGQKRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-10(6-14)11-2-4-17(5-3-11)8-12(9-18)7-13(12,15)16/h6,11,18H,2-5,7-9H2,1H3.
What are the key properties of [2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol?
[2,2-difluoro-1-[[4-(1-fluoroprop-1-en-2-yl)piperidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 263.30 g/mol, XLogP of 2.59, 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 is sourced from PubChem (CID 177009283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).