N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C14H19F7N2O2 — CID 177402658

IUPACN-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F7N2O2/c1-2-5-10(24)22-8-6-3-4-7-9(8)23-11(25)12(15,16)13(17,18)14(19,20)21/h8-9H,2-7H2,1H3,(H,22,24)(H,23,25)/t8-,9-/m1/s1
InChIKeyTUSQHUOHCCRDFW-RKDXNWHRSA-N
MW380.30 g/mol
LogP3.16
Rot. Bonds6

About N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 177402658) has the molecular formula C14H19F7N2O2 and a molecular weight of 380.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID177402658
Molecular FormulaC14H19F7N2O2
Molecular Weight380.30 g/mol
Exact Mass380.13
IUPAC NameN-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F7N2O2/c1-2-5-10(24)22-8-6-3-4-7-9(8)23-11(25)12(15,16)13(17,18)14(19,20)21/h8-9H,2-7H2,1H3,(H,22,24)(H,23,25)/t8-,9-/m1/s1
InChIKeyTUSQHUOHCCRDFW-RKDXNWHRSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.16
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

2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(1R,2R)-2-(3-phenylpropanoylamino)cyclohexyl]heptanamide
CID 177429698
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
CID 3089857
N-[2-(butanoylamino)cyclopropyl]butanamide
CID 123475360
N-cyclooctylbutanamide
CID 4614062
4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 177402658) is N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide is CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is TUSQHUOHCCRDFW-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H19F7N2O2/c1-2-5-10(24)22-8-6-3-4-7-9(8)23-11(25)12(15,16)13(17,18)14(19,20)21/h8-9H,2-7H2,1H3,(H,22,24)(H,23,25)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 380.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 177402658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).