trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane

C8H14F2 — CID 134441969

IUPACtrans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane
SMILESCC1C(F)CC[C@H](C)[C@@H]1F
InChIInChI=1S/C8H14F2/c1-5-3-4-7(9)6(2)8(5)10/h5-8H,3-4H2,1-2H3/t5-,6?,7?,8-/m0/s1
InChIKeyHLFJUPBWQJVQGJ-UMULYZNJSA-N
MW148.20 g/mol
LogP2.73
Rot. Bonds

About trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane

trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane (PubChem CID 134441969) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane.

Molecular Properties

Compound Nametrans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane
PubChem CID134441969
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Nametrans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane
SMILESCC1C(F)CC[C@H](C)[C@@H]1F
InChIInChI=1S/C8H14F2/c1-5-3-4-7(9)6(2)8(5)10/h5-8H,3-4H2,1-2H3/t5-,6?,7?,8-/m0/s1
InChIKeyHLFJUPBWQJVQGJ-UMULYZNJSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane?
The IUPAC name of trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane (CID 134441969) is trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane.
What is the SMILES notation for trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane?
The canonical SMILES for trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane is CC1C(F)CC[C@H](C)[C@@H]1F.
What is the InChIKey of trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane?
The InChIKey is HLFJUPBWQJVQGJ-UMULYZNJSA-N. The full InChI is InChI=1S/C8H14F2/c1-5-3-4-7(9)6(2)8(5)10/h5-8H,3-4H2,1-2H3/t5-,6?,7?,8-/m0/s1.
What are the key properties of trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane?
trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane has a molecular weight of 148.20 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane is sourced from PubChem (CID 134441969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).