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

C10H17F2NO2 — CID 104858285

IUPACN-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-10(12,7-14)6-13-9(15)8-4-2-1-3-5-8/h8,14H,1-7H2,(H,13,15)
InChIKeyWRAMZGJYNGRYQU-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide (PubChem CID 104858285) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
PubChem CID104858285
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-10(12,7-14)6-13-9(15)8-4-2-1-3-5-8/h8,14H,1-7H2,(H,13,15)
InChIKeyWRAMZGJYNGRYQU-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
CID 104857306
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
1-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857444
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
(2R,5S)-5-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]oxolane-2-carboxylic acid
CID 106167993

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide (CID 104858285) is N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide is O=C(NCC(F)(F)CO)C1CCCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide?
The InChIKey is WRAMZGJYNGRYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12,7-14)6-13-9(15)8-4-2-1-3-5-8/h8,14H,1-7H2,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide?
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 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)cyclohexanecarboxamide is sourced from PubChem (CID 104858285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).