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

C11H18F3NO3 — CID 43417397

IUPACN-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-10(17)15-8-1-3-9(16)4-2-8/h8-9,16H,1-7H2,(H,15,17)
InChIKeyCLOWFFFJJYZSNC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.38
Rot. Bonds5

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

N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43417397) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43417397
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-10(17)15-8-1-3-9(16)4-2-8/h8-9,16H,1-7H2,(H,15,17)
InChIKeyCLOWFFFJJYZSNC-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
2,2,3,3,3-Pentafluoro-N-[trans-4-hydroxycyclohexyl]propanamide
CID 91697597
2,2,3,3,4,4,4-Heptafluoro-N-[trans-4-hydroxycyclohexyl]butanamide
CID 91697599
2-fluoro-N-(4-hydroxycyclohexyl)acetamide
CID 69109487
N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide
CID 118327197
3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide
CID 43417251
N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 62366648
N-[3-(4-aminocyclohexyl)oxypropyl]-3,3,3-trifluoropropanamide
CID 63869813
N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide
CID 63870145
4,4,4-trifluoro-N-(4-hydroxycyclohexyl)butanamide
CID 65710965
N-[3-(4-aminocyclohexyl)oxypropyl]-4,4,4-trifluorobutanamide
CID 65712578
4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 79203887

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43417397) is N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CLOWFFFJJYZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-10(17)15-8-1-3-9(16)4-2-8/h8-9,16H,1-7H2,(H,15,17).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 269.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43417397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).