1,2,3-trifluoro-5-methylidenecyclohexane

C7H9F3 — CID 89357397

IUPAC1,2,3-trifluoro-5-methylidenecyclohexane
SMILESC=C1CC(F)C(F)C(F)C1
InChIInChI=1S/C7H9F3/c1-4-2-5(8)7(10)6(9)3-4/h5-7H,1-3H2
InChIKeyPUKLLZDSCPUDND-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.35
Rot. Bonds

About 1,2,3-trifluoro-5-methylidenecyclohexane

1,2,3-trifluoro-5-methylidenecyclohexane (PubChem CID 89357397) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-methylidenecyclohexane.

Molecular Properties

Compound Name1,2,3-trifluoro-5-methylidenecyclohexane
PubChem CID89357397
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name1,2,3-trifluoro-5-methylidenecyclohexane
SMILESC=C1CC(F)C(F)C(F)C1
InChIInChI=1S/C7H9F3/c1-4-2-5(8)7(10)6(9)3-4/h5-7H,1-3H2
InChIKeyPUKLLZDSCPUDND-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Methylenecyclohexane
CID 14502
Cyclohexane, difluoromethylene
CID 136521
1,1-Difluoro-4-methylidenecyclohexane
CID 57493857
Fluoromethylidenecyclohexane
CID 135059926
1-(Difluoromethylidene)-4-methylidenecyclohexane
CID 12965534
1-(Fluoromethylidene)-2-methylidenecyclohexane
CID 90982289
3,3,3-Trifluoroprop-1-enylidenecyclohexane
CID 139264110
1-Fluoro-2-methylidenecyclohexane
CID 23528896
(1S)-1-fluoro-3-methylidenecyclohexane
CID 68390671
1-Fluoro-3-methylidenecyclohexane
CID 77494831
2,4-Difluoro-1-methylidenecyclohexane
CID 90731987
1,3-Difluoro-2-methylidenecyclohexane
CID 90807562

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-methylidenecyclohexane?
The IUPAC name of 1,2,3-trifluoro-5-methylidenecyclohexane (CID 89357397) is 1,2,3-trifluoro-5-methylidenecyclohexane.
What is the SMILES notation for 1,2,3-trifluoro-5-methylidenecyclohexane?
The canonical SMILES for 1,2,3-trifluoro-5-methylidenecyclohexane is C=C1CC(F)C(F)C(F)C1.
What is the InChIKey of 1,2,3-trifluoro-5-methylidenecyclohexane?
The InChIKey is PUKLLZDSCPUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-4-2-5(8)7(10)6(9)3-4/h5-7H,1-3H2.
What are the key properties of 1,2,3-trifluoro-5-methylidenecyclohexane?
1,2,3-trifluoro-5-methylidenecyclohexane has a molecular weight of 150.14 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-methylidenecyclohexane is sourced from PubChem (CID 89357397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).