2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide

C9H12F5NO2 — CID 91697597

IUPAC2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(NC1CCC(O)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c10-8(11,9(12,13)14)7(17)15-5-1-3-6(16)4-2-5/h5-6,16H,1-4H2,(H,15,17)
InChIKeyBLXIMZQYEQKNAJ-UHFFFAOYSA-N
MW261.19 g/mol
LogP1.60
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide

2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 91697597) has the molecular formula C9H12F5NO2 and a molecular weight of 261.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide
PubChem CID91697597
Molecular FormulaC9H12F5NO2
Molecular Weight261.19 g/mol
Exact Mass261.08
IUPAC Name2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(NC1CCC(O)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c10-8(11,9(12,13)14)7(17)15-5-1-3-6(16)4-2-5/h5-6,16H,1-4H2,(H,15,17)
InChIKeyBLXIMZQYEQKNAJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-Hydroxycyclohexyl)acetamide
CID 90074
2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
2,2,3,3,4,4,4-Heptafluoro-N-[trans-4-hydroxycyclohexyl]butanamide
CID 91697599
trans-4-(2,2,3,3,3-Pentafluoropropanamido)cyclohexyl 2,2,3,3,3-pentafluoropropanoate
CID 91697604
2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
CID 58468184
2-fluoro-N-(4-hydroxycyclohexyl)acetamide
CID 69109487
N-[4-(trifluoromethoxy)cyclohexyl]acetamide
CID 126663694
2,2,2-trifluoro-N-[(3S)-3-hydroxycyclohexyl]acetamide
CID 132175271
N-(4,6-dihydroxyhexyl)-2,2,2-trifluoroacetamide
CID 141774563
trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide
CID 163731205
2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxyhexyl)butanamide
CID 168158658
N-[4-(difluoromethoxy)cyclohexyl]acetamide
CID 175986822

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide (CID 91697597) is 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide is O=C(NC1CCC(O)CC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is BLXIMZQYEQKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO2/c10-8(11,9(12,13)14)7(17)15-5-1-3-6(16)4-2-5/h5-6,16H,1-4H2,(H,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide?
2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 261.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 91697597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).