N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H24F3NO2 — CID 103918890

IUPACN-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCCCCO)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)12-7-5-6-11(10-12)13(20)18-8-3-1-2-4-9-19/h11-12,19H,1-10H2,(H,18,20)
InChIKeyASPPTJWTXONETO-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.02
Rot. Bonds7

About N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103918890) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103918890
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCCCCO)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)12-7-5-6-11(10-12)13(20)18-8-3-1-2-4-9-19/h11-12,19H,1-10H2,(H,18,20)
InChIKeyASPPTJWTXONETO-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
N-(4-chlorobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106845327
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(3-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 111461165
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103918890) is N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCCCCCCO)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ASPPTJWTXONETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)12-7-5-6-11(10-12)13(20)18-8-3-1-2-4-9-19/h11-12,19H,1-10H2,(H,18,20).
What are the key properties of N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103918890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).