(3S)-2-(fluoromethyl)-N,3-dimethylpentanamide

C8H16FNO — CID 146647990

IUPAC(3S)-2-(fluoromethyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)C(CF)C(=O)NC
InChIInChI=1S/C8H16FNO/c1-4-6(2)7(5-9)8(11)10-3/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyOMGKDVJDEKGSRZ-PKPIPKONSA-N
MW161.22 g/mol
LogP1.36
Rot. Bonds4

About (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide

(3S)-2-(fluoromethyl)-N,3-dimethylpentanamide (PubChem CID 146647990) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(3S)-2-(fluoromethyl)-N,3-dimethylpentanamide
PubChem CID146647990
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S)-2-(fluoromethyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)C(CF)C(=O)NC
InChIInChI=1S/C8H16FNO/c1-4-6(2)7(5-9)8(11)10-3/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyOMGKDVJDEKGSRZ-PKPIPKONSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide?
The IUPAC name of (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide (CID 146647990) is (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide?
The canonical SMILES for (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide is CC[C@H](C)C(CF)C(=O)NC.
What is the InChIKey of (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide?
The InChIKey is OMGKDVJDEKGSRZ-PKPIPKONSA-N. The full InChI is InChI=1S/C8H16FNO/c1-4-6(2)7(5-9)8(11)10-3/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7?/m0/s1.
What are the key properties of (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide?
(3S)-2-(fluoromethyl)-N,3-dimethylpentanamide has a molecular weight of 161.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(fluoromethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 146647990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).