N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide

C8H16FNO — CID 145154187

IUPACN-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide
SMILESC[C@H](CCF)CCN(C)C=O
InChIInChI=1S/C8H16FNO/c1-8(3-5-9)4-6-10(2)7-11/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyGCQWYUPNSDHUIJ-MRVPVSSYSA-N
MW161.22 g/mol
LogP1.46
Rot. Bonds6

About N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide

N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide (PubChem CID 145154187) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide
PubChem CID145154187
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide
SMILESC[C@H](CCF)CCN(C)C=O
InChIInChI=1S/C8H16FNO/c1-8(3-5-9)4-6-10(2)7-11/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyGCQWYUPNSDHUIJ-MRVPVSSYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide?
The IUPAC name of N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide (CID 145154187) is N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide.
What is the SMILES notation for N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide?
The canonical SMILES for N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide is C[C@H](CCF)CCN(C)C=O.
What is the InChIKey of N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide?
The InChIKey is GCQWYUPNSDHUIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(3-5-9)4-6-10(2)7-11/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide?
N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide has a molecular weight of 161.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide is sourced from PubChem (CID 145154187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).