6-[(2S)-1-fluoropropan-2-yl]tridecane

C16H33F — CID 154930317

IUPAC6-[(2S)-1-fluoropropan-2-yl]tridecane
SMILESCCCCCCCC(CCCCC)[C@H](C)CF
InChIInChI=1S/C16H33F/c1-4-6-8-9-11-13-16(15(3)14-17)12-10-7-5-2/h15-16H,4-14H2,1-3H3/t15-,16?/m1/s1
InChIKeyYASRULCRHDRRJW-AAFJCEBUSA-N
MW244.44 g/mol
LogP6.15
Rot. Bonds12

About 6-[(2S)-1-fluoropropan-2-yl]tridecane

6-[(2S)-1-fluoropropan-2-yl]tridecane (PubChem CID 154930317) has the molecular formula C16H33F and a molecular weight of 244.44 g/mol. Its IUPAC name is 6-[(2S)-1-fluoropropan-2-yl]tridecane.

Molecular Properties

Compound Name6-[(2S)-1-fluoropropan-2-yl]tridecane
PubChem CID154930317
Molecular FormulaC16H33F
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Name6-[(2S)-1-fluoropropan-2-yl]tridecane
SMILESCCCCCCCC(CCCCC)[C@H](C)CF
InChIInChI=1S/C16H33F/c1-4-6-8-9-11-13-16(15(3)14-17)12-10-7-5-2/h15-16H,4-14H2,1-3H3/t15-,16?/m1/s1
InChIKeyYASRULCRHDRRJW-AAFJCEBUSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-7-pentylhexadecane
CID 123739023
9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
8-[(2S)-4,4-difluorobutan-2-yl]pentadecane
CID 154930347
9,10-diethyloctadecane
CID 530164
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
1,3-difluoro-2-methyloctane
CID 134441598
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-fluoropropan-2-yl]tridecane?
The IUPAC name of 6-[(2S)-1-fluoropropan-2-yl]tridecane (CID 154930317) is 6-[(2S)-1-fluoropropan-2-yl]tridecane.
What is the SMILES notation for 6-[(2S)-1-fluoropropan-2-yl]tridecane?
The canonical SMILES for 6-[(2S)-1-fluoropropan-2-yl]tridecane is CCCCCCCC(CCCCC)[C@H](C)CF.
What is the InChIKey of 6-[(2S)-1-fluoropropan-2-yl]tridecane?
The InChIKey is YASRULCRHDRRJW-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H33F/c1-4-6-8-9-11-13-16(15(3)14-17)12-10-7-5-2/h15-16H,4-14H2,1-3H3/t15-,16?/m1/s1.
What are the key properties of 6-[(2S)-1-fluoropropan-2-yl]tridecane?
6-[(2S)-1-fluoropropan-2-yl]tridecane has a molecular weight of 244.44 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-fluoropropan-2-yl]tridecane is sourced from PubChem (CID 154930317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).