3-fluorohexane;fluoromethane

C7H16F2 — CID 171506304

IUPAC3-fluorohexane;fluoromethane
SMILESCCCC(F)CC.CF
InChIInChI=1S/C6H13F.CH3F/c1-3-5-6(7)4-2;1-2/h6H,3-5H2,1-2H3;1H3
InChIKeyWVCJKNAWXHKSBD-UHFFFAOYSA-N
MW138.20 g/mol
LogP3.12
Rot. Bonds3

About 3-fluorohexane;fluoromethane

3-fluorohexane;fluoromethane (PubChem CID 171506304) has the molecular formula C7H16F2 and a molecular weight of 138.20 g/mol. Its IUPAC name is 3-fluorohexane;fluoromethane.

Molecular Properties

Compound Name3-fluorohexane;fluoromethane
PubChem CID171506304
Molecular FormulaC7H16F2
Molecular Weight138.20 g/mol
Exact Mass138.12
IUPAC Name3-fluorohexane;fluoromethane
SMILESCCCC(F)CC.CF
InChIInChI=1S/C6H13F.CH3F/c1-3-5-6(7)4-2;1-2/h6H,3-5H2,1-2H3;1H3
InChIKeyWVCJKNAWXHKSBD-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluorohexane;fluoromethane?
The IUPAC name of 3-fluorohexane;fluoromethane (CID 171506304) is 3-fluorohexane;fluoromethane.
What is the SMILES notation for 3-fluorohexane;fluoromethane?
The canonical SMILES for 3-fluorohexane;fluoromethane is CCCC(F)CC.CF.
What is the InChIKey of 3-fluorohexane;fluoromethane?
The InChIKey is WVCJKNAWXHKSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F.CH3F/c1-3-5-6(7)4-2;1-2/h6H,3-5H2,1-2H3;1H3.
What are the key properties of 3-fluorohexane;fluoromethane?
3-fluorohexane;fluoromethane has a molecular weight of 138.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorohexane;fluoromethane is sourced from PubChem (CID 171506304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).