(3S)-1,3-difluoroheptane

C7H14F2 — CID 148515317

IUPAC(3S)-1,3-difluoroheptane
SMILESCCCC[C@H](F)CCF
InChIInChI=1S/C7H14F2/c1-2-3-4-7(9)5-6-8/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyMNIAHRJEBNCSRI-ZETCQYMHSA-N
MW136.19 g/mol
LogP2.87
Rot. Bonds5

About (3S)-1,3-difluoroheptane

(3S)-1,3-difluoroheptane (PubChem CID 148515317) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is (3S)-1,3-difluoroheptane.

Molecular Properties

Compound Name(3S)-1,3-difluoroheptane
PubChem CID148515317
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name(3S)-1,3-difluoroheptane
SMILESCCCC[C@H](F)CCF
InChIInChI=1S/C7H14F2/c1-2-3-4-7(9)5-6-8/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyMNIAHRJEBNCSRI-ZETCQYMHSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(5S)-5-fluorotetradecan-1-ol
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1-bromo-10-fluorononacosane
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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-difluoroheptane?
The IUPAC name of (3S)-1,3-difluoroheptane (CID 148515317) is (3S)-1,3-difluoroheptane.
What is the SMILES notation for (3S)-1,3-difluoroheptane?
The canonical SMILES for (3S)-1,3-difluoroheptane is CCCC[C@H](F)CCF.
What is the InChIKey of (3S)-1,3-difluoroheptane?
The InChIKey is MNIAHRJEBNCSRI-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14F2/c1-2-3-4-7(9)5-6-8/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1,3-difluoroheptane?
(3S)-1,3-difluoroheptane has a molecular weight of 136.19 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-difluoroheptane is sourced from PubChem (CID 148515317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).