(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene

C9H14F4 — CID 167317182

IUPAC(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene
SMILESCCC(C)(C)/C(C)=C(\F)C(F)(F)F
InChIInChI=1S/C9H14F4/c1-5-8(3,4)6(2)7(10)9(11,12)13/h5H2,1-4H3/b7-6-
InChIKeyBTOFFCMVPCKORY-SREVYHEPSA-N
MW198.20 g/mol
LogP4.23
Rot. Bonds2

About (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene

(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene (PubChem CID 167317182) has the molecular formula C9H14F4 and a molecular weight of 198.20 g/mol. Its IUPAC name is (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene
PubChem CID167317182
Molecular FormulaC9H14F4
Molecular Weight198.20 g/mol
Exact Mass198.10
IUPAC Name(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene
SMILESCCC(C)(C)/C(C)=C(\F)C(F)(F)F
InChIInChI=1S/C9H14F4/c1-5-8(3,4)6(2)7(10)9(11,12)13/h5H2,1-4H3/b7-6-
InChIKeyBTOFFCMVPCKORY-SREVYHEPSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene?
The IUPAC name of (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene (CID 167317182) is (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene.
What is the SMILES notation for (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene?
The canonical SMILES for (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene is CCC(C)(C)/C(C)=C(\F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene?
The InChIKey is BTOFFCMVPCKORY-SREVYHEPSA-N. The full InChI is InChI=1S/C9H14F4/c1-5-8(3,4)6(2)7(10)9(11,12)13/h5H2,1-4H3/b7-6-.
What are the key properties of (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene?
(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene has a molecular weight of 198.20 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene is sourced from PubChem (CID 167317182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).