2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide

C9H15F2NO2 — CID 103513928

IUPAC2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(NCC1CCCCC1O)C(F)F
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12-5-6-3-1-2-4-7(6)13/h6-8,13H,1-5H2,(H,12,14)
InChIKeyDYHAFFAXVVNJKV-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.92
Rot. Bonds3

About 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide

2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide (PubChem CID 103513928) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
PubChem CID103513928
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(NCC1CCCCC1O)C(F)F
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12-5-6-3-1-2-4-7(6)13/h6-8,13H,1-5H2,(H,12,14)
InChIKeyDYHAFFAXVVNJKV-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 85710120
2,2,2-trifluoro-N-[2-(2-hydroxycyclopentyl)ethyl]acetamide
CID 134293377
2-fluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
CID 141442200
2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
CID 154630327
N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
CID 155484151
2,2,2-trifluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64910689
2-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 64910973
2-[(2,2,2-Trifluoroethylamino)methyl]cyclohexan-1-ol
CID 64911170
2-[(2,2-Difluoroethylamino)methyl]cyclohexan-1-ol
CID 64911357
N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64911939
2-[(2-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64912624
2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 64912835

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide (CID 103513928) is 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide is O=C(NCC1CCCCC1O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is DYHAFFAXVVNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)9(14)12-5-6-3-1-2-4-7(6)13/h6-8,13H,1-5H2,(H,12,14).
What are the key properties of 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide?
2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 207.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 103513928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).