(2S)-2-fluorohexadecanal

C16H31FO — CID 134857256

IUPAC(2S)-2-fluorohexadecanal
SMILESCCCCCCCCCCCCCC[C@H](F)C=O
InChIInChI=1S/C16H31FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15-16H,2-14H2,1H3/t16-/m0/s1
InChIKeyVSZOVRHQNWNNFB-INIZCTEOSA-N
MW258.42 g/mol
LogP5.61
Rot. Bonds14

About (2S)-2-fluorohexadecanal

(2S)-2-fluorohexadecanal (PubChem CID 134857256) has the molecular formula C16H31FO and a molecular weight of 258.42 g/mol. Its IUPAC name is (2S)-2-fluorohexadecanal.

Molecular Properties

Compound Name(2S)-2-fluorohexadecanal
PubChem CID134857256
Molecular FormulaC16H31FO
Molecular Weight258.42 g/mol
Exact Mass258.24
IUPAC Name(2S)-2-fluorohexadecanal
SMILESCCCCCCCCCCCCCC[C@H](F)C=O
InChIInChI=1S/C16H31FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15-16H,2-14H2,1H3/t16-/m0/s1
InChIKeyVSZOVRHQNWNNFB-INIZCTEOSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 20505732
2-methyldodecanal
CID 87784106
2-aminooctanal
CID 54076326
2-sulfanyltridecanal
CID 134564742
2-ethylheptadecanal
CID 18629573
2-(trifluoromethyl)nonanal
CID 85157454
(Z,2R)-2-fluorodec-7-enal
CID 134894209
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
2-hexadecylbutanedial
CID 23443177
octadecan-8-yl formate
CID 171797323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluorohexadecanal?
The IUPAC name of (2S)-2-fluorohexadecanal (CID 134857256) is (2S)-2-fluorohexadecanal.
What is the SMILES notation for (2S)-2-fluorohexadecanal?
The canonical SMILES for (2S)-2-fluorohexadecanal is CCCCCCCCCCCCCC[C@H](F)C=O.
What is the InChIKey of (2S)-2-fluorohexadecanal?
The InChIKey is VSZOVRHQNWNNFB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H31FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15-16H,2-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-fluorohexadecanal?
(2S)-2-fluorohexadecanal has a molecular weight of 258.42 g/mol, XLogP of 5.61, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluorohexadecanal is sourced from PubChem (CID 134857256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).