2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide

C10H12F7NO2 — CID 40538968

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-3-1-2-4-6(5)19/h5-6,19H,1-4H2,(H,18,20)/t5-,6+/m0/s1
InChIKeyWCIZYAPQAVSMFT-NTSWFWBYSA-N
MW311.20 g/mol
LogP2.24
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide (PubChem CID 40538968) has the molecular formula C10H12F7NO2 and a molecular weight of 311.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
PubChem CID40538968
Molecular FormulaC10H12F7NO2
Molecular Weight311.20 g/mol
Exact Mass311.08
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-3-1-2-4-6(5)19/h5-6,19H,1-4H2,(H,18,20)/t5-,6+/m0/s1
InChIKeyWCIZYAPQAVSMFT-NTSWFWBYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide (CID 40538968) is 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide is O=C(N[C@H]1CCCC[C@H]1O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide?
The InChIKey is WCIZYAPQAVSMFT-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-3-1-2-4-6(5)19/h5-6,19H,1-4H2,(H,18,20)/t5-,6+/m0/s1.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide has a molecular weight of 311.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 40538968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).