1-tert-butyl-4-(1-fluoroethylidene)cyclohexane

C12H21F — CID 11355891

IUPAC1-tert-butyl-4-(1-fluoroethylidene)cyclohexane
SMILESCC(F)=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H21F/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h11H,5-8H2,1-4H3/b10-9-
InChIKeyGIXFDPAMOGCBCZ-KTKRTIGZSA-N
MW184.30 g/mol
LogP4.47
Rot. Bonds

About 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane

1-tert-butyl-4-(1-fluoroethylidene)cyclohexane (PubChem CID 11355891) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(1-fluoroethylidene)cyclohexane
PubChem CID11355891
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name1-tert-butyl-4-(1-fluoroethylidene)cyclohexane
SMILESCC(F)=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H21F/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h11H,5-8H2,1-4H3/b10-9-
InChIKeyGIXFDPAMOGCBCZ-KTKRTIGZSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane (CID 11355891) is 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane is CC(F)=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane?
The InChIKey is GIXFDPAMOGCBCZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H21F/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h11H,5-8H2,1-4H3/b10-9-.
What are the key properties of 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane?
1-tert-butyl-4-(1-fluoroethylidene)cyclohexane has a molecular weight of 184.30 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-fluoroethylidene)cyclohexane is sourced from PubChem (CID 11355891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).