N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C11H18F3NO2 — CID 78888004

IUPACN-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCO)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9-4-1-3-8(7-9)10(17)15-5-2-6-16/h8-9,16H,1-7H2,(H,15,17)
InChIKeyNMEMKYJKPATVQN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds4

About N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78888004) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78888004
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCO)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9-4-1-3-8(7-9)10(17)15-5-2-6-16/h8-9,16H,1-7H2,(H,15,17)
InChIKeyNMEMKYJKPATVQN-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78888004) is N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCCCO)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NMEMKYJKPATVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)9-4-1-3-8(7-9)10(17)15-5-2-6-16/h8-9,16H,1-7H2,(H,15,17).
What are the key properties of N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78888004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).