4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide

C7H11F2NO6 — CID 143704751

IUPAC4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide
SMILESNC(=O)C1(O)CC(O)(O)C(F)(F)C(O)(O)C1
InChIInChI=1S/C7H11F2NO6/c8-7(9)5(13,14)1-4(12,3(10)11)2-6(7,15)16/h12-16H,1-2H2,(H2,10,11)
InChIKeyINZADOBEXIPMDJ-UHFFFAOYSA-N
MW243.16 g/mol
LogP-3.01
Rot. Bonds1

About 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide

4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide (PubChem CID 143704751) has the molecular formula C7H11F2NO6 and a molecular weight of 243.16 g/mol. Its IUPAC name is 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide
PubChem CID143704751
Molecular FormulaC7H11F2NO6
Molecular Weight243.16 g/mol
Exact Mass243.06
IUPAC Name4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide
SMILESNC(=O)C1(O)CC(O)(O)C(F)(F)C(O)(O)C1
InChIInChI=1S/C7H11F2NO6/c8-7(9)5(13,14)1-4(12,3(10)11)2-6(7,15)16/h12-16H,1-2H2,(H2,10,11)
InChIKeyINZADOBEXIPMDJ-UHFFFAOYSA-N
XLogP-3.01
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.16
LogP ≤ 5-3.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-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

1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide
CID 127007168
(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
CID 118555978
1-hydroxycyclopentane-1-carboxamide
CID 12857769
(3S)-3-hydroxypyrrolidine-3-carboxamide
CID 97359016
8-hydroxyspiro[4.5]decane-8-carboxamide
CID 114819912
1-cyano-2,2-difluorocyclopropane-1-carboxamide
CID 45084271
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
(2R)-4,4-difluoro-2-methyloxolane-2-carboxamide
CID 162570093
1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
CID 130538433
(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
CID 134595983
22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide
CID 175975620
2-(1-amino-3,3-difluorocyclobutyl)acetamide
CID 90202766

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide (CID 143704751) is 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide is NC(=O)C1(O)CC(O)(O)C(F)(F)C(O)(O)C1.
What is the InChIKey of 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide?
The InChIKey is INZADOBEXIPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO6/c8-7(9)5(13,14)1-4(12,3(10)11)2-6(7,15)16/h12-16H,1-2H2,(H2,10,11).
What are the key properties of 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide?
4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide has a molecular weight of 243.16 g/mol, XLogP of -3.01, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 143704751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).