1,1-bis(fluoromethyl)cyclohexane

C8H14F2 — CID 58341484

IUPAC1,1-bis(fluoromethyl)cyclohexane
SMILESFCC1(CF)CCCCC1
InChIInChI=1S/C8H14F2/c9-6-8(7-10)4-2-1-3-5-8/h1-7H2
InChIKeyDTCVLOHPWSZHNT-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.88
Rot. Bonds2

About 1,1-bis(fluoromethyl)cyclohexane

1,1-bis(fluoromethyl)cyclohexane (PubChem CID 58341484) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,1-bis(fluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(fluoromethyl)cyclohexane
PubChem CID58341484
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,1-bis(fluoromethyl)cyclohexane
SMILESFCC1(CF)CCCCC1
InChIInChI=1S/C8H14F2/c9-6-8(7-10)4-2-1-3-5-8/h1-7H2
InChIKeyDTCVLOHPWSZHNT-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(fluoromethyl)cyclohexane?
The IUPAC name of 1,1-bis(fluoromethyl)cyclohexane (CID 58341484) is 1,1-bis(fluoromethyl)cyclohexane.
What is the SMILES notation for 1,1-bis(fluoromethyl)cyclohexane?
The canonical SMILES for 1,1-bis(fluoromethyl)cyclohexane is FCC1(CF)CCCCC1.
What is the InChIKey of 1,1-bis(fluoromethyl)cyclohexane?
The InChIKey is DTCVLOHPWSZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c9-6-8(7-10)4-2-1-3-5-8/h1-7H2.
What are the key properties of 1,1-bis(fluoromethyl)cyclohexane?
1,1-bis(fluoromethyl)cyclohexane has a molecular weight of 148.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(fluoromethyl)cyclohexane is sourced from PubChem (CID 58341484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).