N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide

C11H17F2NO2 — CID 104857980

IUPACN-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCC(F)(F)CO)C1C2CCCCC21
InChIInChI=1S/C11H17F2NO2/c12-11(13,6-15)5-14-10(16)9-7-3-1-2-4-8(7)9/h7-9,15H,1-6H2,(H,14,16)
InChIKeyFUVYXBDNPQMBSA-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.17
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 104857980) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID104857980
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCC(F)(F)CO)C1C2CCCCC21
InChIInChI=1S/C11H17F2NO2/c12-11(13,6-15)5-14-10(16)9-7-3-1-2-4-8(7)9/h7-9,15H,1-6H2,(H,14,16)
InChIKeyFUVYXBDNPQMBSA-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 24285039
4-cyclohexyl-N-(3-hydroxypropyl)butanamide
CID 43390100
2-cyclohexyl-N-(3-hydroxypropyl)acetamide
CID 43390121
5-cyclohexyl-N-(3-hydroxypropyl)pentanamide
CID 172463524
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
2-(4,4-difluorocycloheptyl)-N-(4-hydroxypentyl)acetamide
CID 168158650
N-(2-cyclopropyl-2-hydroxyethyl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502764
N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78888004
N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78888764
N-(3-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78995390
N-(2-cyclopropyl-2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80700311
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 104857980) is N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(NCC(F)(F)CO)C1C2CCCCC21.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is FUVYXBDNPQMBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13,6-15)5-14-10(16)9-7-3-1-2-4-8(7)9/h7-9,15H,1-6H2,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 1.17, 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)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 104857980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).