N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide

C15H29F2NO2 — CID 102373405

IUPACN,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide
SMILESCCCCC(O)C(F)(F)C(=O)N(CCCC)CCCC
InChIInChI=1S/C15H29F2NO2/c1-4-7-10-13(19)15(16,17)14(20)18(11-8-5-2)12-9-6-3/h13,19H,4-12H2,1-3H3
InChIKeyWHXBDTMMFAGCKD-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.60
Rot. Bonds11

About N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide

N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide (PubChem CID 102373405) has the molecular formula C15H29F2NO2 and a molecular weight of 293.40 g/mol. Its IUPAC name is N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide.

Molecular Properties

Compound NameN,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide
PubChem CID102373405
Molecular FormulaC15H29F2NO2
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC NameN,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide
SMILESCCCCC(O)C(F)(F)C(=O)N(CCCC)CCCC
InChIInChI=1S/C15H29F2NO2/c1-4-7-10-13(19)15(16,17)14(20)18(11-8-5-2)12-9-6-3/h13,19H,4-12H2,1-3H3
InChIKeyWHXBDTMMFAGCKD-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide?
The IUPAC name of N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide (CID 102373405) is N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide.
What is the SMILES notation for N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide?
The canonical SMILES for N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide is CCCCC(O)C(F)(F)C(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide?
The InChIKey is WHXBDTMMFAGCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO2/c1-4-7-10-13(19)15(16,17)14(20)18(11-8-5-2)12-9-6-3/h13,19H,4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide?
N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide has a molecular weight of 293.40 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,2-difluoro-3-hydroxyheptanamide is sourced from PubChem (CID 102373405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).