N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide

C12H20F3NO2 — CID 65124077

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide
SMILESCCC1CCC(O)(CNC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-2-9-3-5-11(18,6-4-9)8-16-10(17)7-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyKQOFCQPPFHBLAF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.39
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 65124077) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide
PubChem CID65124077
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide
SMILESCCC1CCC(O)(CNC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-2-9-3-5-11(18,6-4-9)8-16-10(17)7-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyKQOFCQPPFHBLAF-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide (CID 65124077) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide is CCC1CCC(O)(CNC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is KQOFCQPPFHBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-9-3-5-11(18,6-4-9)8-16-10(17)7-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 267.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 65124077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).