2-methylhex-2-enoic acid;tetrahydrofluoride

C7H16F4O2 — CID 174467468

IUPAC2-methylhex-2-enoic acid;tetrahydrofluoride
SMILESCCCC=C(C)C(=O)O.F.F.F.F
InChIInChI=1S/C7H12O2.4FH/c1-3-4-5-6(2)7(8)9;;;;/h5H,3-4H2,1-2H3,(H,8,9);4*1H
InChIKeyFETPSRLKAFSNIR-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.43
Rot. Bonds3

About 2-methylhex-2-enoic acid;tetrahydrofluoride

2-methylhex-2-enoic acid;tetrahydrofluoride (PubChem CID 174467468) has the molecular formula C7H16F4O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-methylhex-2-enoic acid;tetrahydrofluoride.

Molecular Properties

Compound Name2-methylhex-2-enoic acid;tetrahydrofluoride
PubChem CID174467468
Molecular FormulaC7H16F4O2
Molecular Weight208.19 g/mol
Exact Mass208.11
IUPAC Name2-methylhex-2-enoic acid;tetrahydrofluoride
SMILESCCCC=C(C)C(=O)O.F.F.F.F
InChIInChI=1S/C7H12O2.4FH/c1-3-4-5-6(2)7(8)9;;;;/h5H,3-4H2,1-2H3,(H,8,9);4*1H
InChIKeyFETPSRLKAFSNIR-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
2-methyl-6-oxohept-2-enoic acid
CID 85419897
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
2-methylhenicosa-2,12-dienoic acid
CID 73411111
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-enoic acid;tetrahydrofluoride?
The IUPAC name of 2-methylhex-2-enoic acid;tetrahydrofluoride (CID 174467468) is 2-methylhex-2-enoic acid;tetrahydrofluoride.
What is the SMILES notation for 2-methylhex-2-enoic acid;tetrahydrofluoride?
The canonical SMILES for 2-methylhex-2-enoic acid;tetrahydrofluoride is CCCC=C(C)C(=O)O.F.F.F.F.
What is the InChIKey of 2-methylhex-2-enoic acid;tetrahydrofluoride?
The InChIKey is FETPSRLKAFSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.4FH/c1-3-4-5-6(2)7(8)9;;;;/h5H,3-4H2,1-2H3,(H,8,9);4*1H.
What are the key properties of 2-methylhex-2-enoic acid;tetrahydrofluoride?
2-methylhex-2-enoic acid;tetrahydrofluoride has a molecular weight of 208.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-enoic acid;tetrahydrofluoride is sourced from PubChem (CID 174467468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).