N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide

C16H22F7NO — CID 544022

IUPACN,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H22F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyWMHGSOYODMNMSD-UHFFFAOYSA-N
MW377.34 g/mol
LogP5.31
Rot. Bonds4

About N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide

N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 544022) has the molecular formula C16H22F7NO and a molecular weight of 377.34 g/mol. Its IUPAC name is N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID544022
Molecular FormulaC16H22F7NO
Molecular Weight377.34 g/mol
Exact Mass377.16
IUPAC NameN,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H22F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyWMHGSOYODMNMSD-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.34
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Heptafluorobutanamide, N,N-dihexyl-
CID 532976
N,N-Dicyclohexyl-2,2,2-trifluoroacetamide
CID 543477
N-cyclohexyl-2,2,2-trifluoro-N-propan-2-ylacetamide
CID 125502413
2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide
CID 135064226
2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide
CID 135080386
2,2,2-trifluoro-N-[(1S,3S)-3-fluorocyclohexyl]-N-propan-2-ylacetamide
CID 177852011
N,N-Dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 575044
N,N-dicyclohexyl-2,2-difluoropropanamide
CID 58122792
N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide
CID 88948298
N-cyclohexyl-2,2-difluoro-N-methylpropanamide
CID 118150825
N,N-dicyclohexyl-2-fluoropropanamide
CID 118531105
N-(4,4-difluorocyclohexyl)-N-methylbutanamide
CID 143573691

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 544022) is N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is WMHGSOYODMNMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 377.34 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 544022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).