N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C14H23F2NO2 — CID 104857234

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCC2CCCCC2C1
InChIInChI=1S/C14H23F2NO2/c15-14(16,9-18)8-17-13(19)12-6-5-10-3-1-2-4-11(10)7-12/h10-12,18H,1-9H2,(H,17,19)
InChIKeyHYTSBWRJVPNNAM-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.34
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 104857234) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID104857234
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCC2CCCCC2C1
InChIInChI=1S/C14H23F2NO2/c15-14(16,9-18)8-17-13(19)12-6-5-10-3-1-2-4-11(10)7-12/h10-12,18H,1-9H2,(H,17,19)
InChIKeyHYTSBWRJVPNNAM-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 104857234) is N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is O=C(NCC(F)(F)CO)C1CCC2CCCCC2C1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is HYTSBWRJVPNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c15-14(16,9-18)8-17-13(19)12-6-5-10-3-1-2-4-11(10)7-12/h10-12,18H,1-9H2,(H,17,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 2.34, 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)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 104857234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).