N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide

C11H19F2NO2 — CID 104858027

IUPACN-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCCCC1
InChIInChI=1S/C11H19F2NO2/c12-11(13,8-15)7-14-10(16)9-5-3-1-2-4-6-9/h9,15H,1-8H2,(H,14,16)
InChIKeyIPVLLXJVNZDKGV-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.70
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide

N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide (PubChem CID 104858027) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide
PubChem CID104858027
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCCCC1
InChIInChI=1S/C11H19F2NO2/c12-11(13,8-15)7-14-10(16)9-5-3-1-2-4-6-9/h9,15H,1-8H2,(H,14,16)
InChIKeyIPVLLXJVNZDKGV-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide (CID 104858027) is N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide is O=C(NCC(F)(F)CO)C1CCCCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide?
The InChIKey is IPVLLXJVNZDKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c12-11(13,8-15)7-14-10(16)9-5-3-1-2-4-6-9/h9,15H,1-8H2,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide?
N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide is sourced from PubChem (CID 104858027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).