N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H22F3NO2 — CID 103279730

IUPACN-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)11-3-1-2-10(7-11)13(20)18-8-9-4-5-12(19)6-9/h9-12,19H,1-8H2,(H,18,20)
InChIKeyKCBNXVZASRIDHZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103279730) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103279730
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)11-3-1-2-10(7-11)13(20)18-8-9-4-5-12(19)6-9/h9-12,19H,1-8H2,(H,18,20)
InChIKeyKCBNXVZASRIDHZ-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103279730) is N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1CCC(O)C1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is KCBNXVZASRIDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)11-3-1-2-10(7-11)13(20)18-8-9-4-5-12(19)6-9/h9-12,19H,1-8H2,(H,18,20).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103279730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).