3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide

C9H14F3NO2 — CID 43417251

IUPAC3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(CC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-8(15)13-6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyNBTUVQSMPGWCRP-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.36
Rot. Bonds2

About 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide

3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 43417251) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide
PubChem CID43417251
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(CC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-8(15)13-6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyNBTUVQSMPGWCRP-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide (CID 43417251) is 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide is O=C(CC(F)(F)F)NC1CCC(O)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is NBTUVQSMPGWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-8(15)13-6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide?
3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 225.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 43417251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).