N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide

C14H28FNO2 — CID 170384189

IUPACN-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)CC(C)CCN(CCO)C(=O)C(C)(C)F
InChIInChI=1S/C14H28FNO2/c1-11(2)10-12(3)6-7-16(8-9-17)13(18)14(4,5)15/h11-12,17H,6-10H2,1-5H3
InChIKeyDREOZEHMHWOFMT-UHFFFAOYSA-N
MW261.38 g/mol
LogP2.63
Rot. Bonds8

About N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide

N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 170384189) has the molecular formula C14H28FNO2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID170384189
Molecular FormulaC14H28FNO2
Molecular Weight261.38 g/mol
Exact Mass261.21
IUPAC NameN-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)CC(C)CCN(CCO)C(=O)C(C)(C)F
InChIInChI=1S/C14H28FNO2/c1-11(2)10-12(3)6-7-16(8-9-17)13(18)14(4,5)15/h11-12,17H,6-10H2,1-5H3
InChIKeyDREOZEHMHWOFMT-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide (CID 170384189) is N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide is CC(C)CC(C)CCN(CCO)C(=O)C(C)(C)F.
What is the InChIKey of N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is DREOZEHMHWOFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO2/c1-11(2)10-12(3)6-7-16(8-9-17)13(18)14(4,5)15/h11-12,17H,6-10H2,1-5H3.
What are the key properties of N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 261.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 170384189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).