8-[(2S)-4,4-difluorobutan-2-yl]pentadecane

C19H38F2 — CID 154930347

IUPAC8-[(2S)-4,4-difluorobutan-2-yl]pentadecane
SMILESCCCCCCCC(CCCCCCC)[C@@H](C)CC(F)F
InChIInChI=1S/C19H38F2/c1-4-6-8-10-12-14-18(17(3)16-19(20)21)15-13-11-9-7-5-2/h17-19H,4-16H2,1-3H3/t17-/m0/s1
InChIKeyHRJMFQZBGOYTTI-KRWDZBQOSA-N
MW304.51 g/mol
LogP7.61
Rot. Bonds15

About 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane

8-[(2S)-4,4-difluorobutan-2-yl]pentadecane (PubChem CID 154930347) has the molecular formula C19H38F2 and a molecular weight of 304.51 g/mol. Its IUPAC name is 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane.

Molecular Properties

Compound Name8-[(2S)-4,4-difluorobutan-2-yl]pentadecane
PubChem CID154930347
Molecular FormulaC19H38F2
Molecular Weight304.51 g/mol
Exact Mass304.29
IUPAC Name8-[(2S)-4,4-difluorobutan-2-yl]pentadecane
SMILESCCCCCCCC(CCCCCCC)[C@@H](C)CC(F)F
InChIInChI=1S/C19H38F2/c1-4-6-8-10-12-14-18(17(3)16-19(20)21)15-13-11-9-7-5-2/h17-19H,4-16H2,1-3H3/t17-/m0/s1
InChIKeyHRJMFQZBGOYTTI-KRWDZBQOSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 57.61
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

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CID 154930317
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CID 123739023
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CID 174796911
11-butyl-12-methyldocosane
CID 151619606
6-[3,3-difluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 170145623
6-[(1R)-3,3-difluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 170145624
9,10-diethyloctadecane
CID 530164
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
1,3-difluoro-2-methyloctane
CID 134441598
3-bromo-1,1-difluorononane
CID 24977728
5,6-diethyldodecane
CID 90761715

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane?
The IUPAC name of 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane (CID 154930347) is 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane.
What is the SMILES notation for 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane?
The canonical SMILES for 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane is CCCCCCCC(CCCCCCC)[C@@H](C)CC(F)F.
What is the InChIKey of 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane?
The InChIKey is HRJMFQZBGOYTTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H38F2/c1-4-6-8-10-12-14-18(17(3)16-19(20)21)15-13-11-9-7-5-2/h17-19H,4-16H2,1-3H3/t17-/m0/s1.
What are the key properties of 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane?
8-[(2S)-4,4-difluorobutan-2-yl]pentadecane has a molecular weight of 304.51 g/mol, XLogP of 7.61, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-4,4-difluorobutan-2-yl]pentadecane is sourced from PubChem (CID 154930347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).