ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol

C13H24FNO — CID 178038014

IUPACethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESCC.OCC1(CN2CCC(=CF)CC2)CC1
InChIInChI=1S/C11H18FNO.C2H6/c12-7-10-1-5-13(6-2-10)8-11(9-14)3-4-11;1-2/h7,14H,1-6,8-9H2;1-2H3
InChIKeyDECPZZJXKXCZQA-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.73
Rot. Bonds3

About ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol

ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 178038014) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID178038014
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Nameethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESCC.OCC1(CN2CCC(=CF)CC2)CC1
InChIInChI=1S/C11H18FNO.C2H6/c12-7-10-1-5-13(6-2-10)8-11(9-14)3-4-11;1-2/h7,14H,1-6,8-9H2;1-2H3
InChIKeyDECPZZJXKXCZQA-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol (CID 178038014) is ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol is CC.OCC1(CN2CCC(=CF)CC2)CC1.
What is the InChIKey of ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is DECPZZJXKXCZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO.C2H6/c12-7-10-1-5-13(6-2-10)8-11(9-14)3-4-11;1-2/h7,14H,1-6,8-9H2;1-2H3.
What are the key properties of ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 229.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 178038014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).