trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane

C7H13F — CID 67978903

IUPACtrans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane
SMILESC[C@@H]1CC[C@@H](CF)C1
InChIInChI=1S/C7H13F/c1-6-2-3-7(4-6)5-8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyYDIXSXGYRFBHRT-RNFRBKRXSA-N
MW116.18 g/mol
LogP2.39
Rot. Bonds1

About trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane

trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane (PubChem CID 67978903) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane
PubChem CID67978903
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Nametrans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane
SMILESC[C@@H]1CC[C@@H](CF)C1
InChIInChI=1S/C7H13F/c1-6-2-3-7(4-6)5-8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyYDIXSXGYRFBHRT-RNFRBKRXSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane?
The IUPAC name of trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane (CID 67978903) is trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane.
What is the SMILES notation for trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane?
The canonical SMILES for trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane is C[C@@H]1CC[C@@H](CF)C1.
What is the InChIKey of trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane?
The InChIKey is YDIXSXGYRFBHRT-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13F/c1-6-2-3-7(4-6)5-8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane?
trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane has a molecular weight of 116.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane is sourced from PubChem (CID 67978903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).