(Z)-1-fluoro-2,3,3-trimethylbut-1-ene

C7H13F — CID 129288761

IUPAC(Z)-1-fluoro-2,3,3-trimethylbut-1-ene
SMILESC/C(=C/F)C(C)(C)C
InChIInChI=1S/C7H13F/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5-
InChIKeyIUCJPEUTWSNLOU-WAYWQWQTSA-N
MW116.18 g/mol
LogP2.91
Rot. Bonds

About (Z)-1-fluoro-2,3,3-trimethylbut-1-ene

(Z)-1-fluoro-2,3,3-trimethylbut-1-ene (PubChem CID 129288761) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is (Z)-1-fluoro-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name(Z)-1-fluoro-2,3,3-trimethylbut-1-ene
PubChem CID129288761
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name(Z)-1-fluoro-2,3,3-trimethylbut-1-ene
SMILESC/C(=C/F)C(C)(C)C
InChIInChI=1S/C7H13F/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5-
InChIKeyIUCJPEUTWSNLOU-WAYWQWQTSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-2,3,3-trimethylbut-1-ene?
The IUPAC name of (Z)-1-fluoro-2,3,3-trimethylbut-1-ene (CID 129288761) is (Z)-1-fluoro-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for (Z)-1-fluoro-2,3,3-trimethylbut-1-ene?
The canonical SMILES for (Z)-1-fluoro-2,3,3-trimethylbut-1-ene is C/C(=C/F)C(C)(C)C.
What is the InChIKey of (Z)-1-fluoro-2,3,3-trimethylbut-1-ene?
The InChIKey is IUCJPEUTWSNLOU-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13F/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5-.
What are the key properties of (Z)-1-fluoro-2,3,3-trimethylbut-1-ene?
(Z)-1-fluoro-2,3,3-trimethylbut-1-ene has a molecular weight of 116.18 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 129288761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).