[(2S)-3-fluorobutan-2-yl]cyclopropane

C7H13F — CID 170226642

IUPAC[(2S)-3-fluorobutan-2-yl]cyclopropane
SMILESCC(F)[C@@H](C)C1CC1
InChIInChI=1S/C7H13F/c1-5(6(2)8)7-3-4-7/h5-7H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyMBRCWTAKFKWMFX-LWOQYNTDSA-N
MW116.18 g/mol
LogP2.39
Rot. Bonds2

About [(2S)-3-fluorobutan-2-yl]cyclopropane

[(2S)-3-fluorobutan-2-yl]cyclopropane (PubChem CID 170226642) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is [(2S)-3-fluorobutan-2-yl]cyclopropane.

Molecular Properties

Compound Name[(2S)-3-fluorobutan-2-yl]cyclopropane
PubChem CID170226642
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name[(2S)-3-fluorobutan-2-yl]cyclopropane
SMILESCC(F)[C@@H](C)C1CC1
InChIInChI=1S/C7H13F/c1-5(6(2)8)7-3-4-7/h5-7H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyMBRCWTAKFKWMFX-LWOQYNTDSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 [(2S)-3-fluorobutan-2-yl]cyclopropane?
The IUPAC name of [(2S)-3-fluorobutan-2-yl]cyclopropane (CID 170226642) is [(2S)-3-fluorobutan-2-yl]cyclopropane.
What is the SMILES notation for [(2S)-3-fluorobutan-2-yl]cyclopropane?
The canonical SMILES for [(2S)-3-fluorobutan-2-yl]cyclopropane is CC(F)[C@@H](C)C1CC1.
What is the InChIKey of [(2S)-3-fluorobutan-2-yl]cyclopropane?
The InChIKey is MBRCWTAKFKWMFX-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H13F/c1-5(6(2)8)7-3-4-7/h5-7H,3-4H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of [(2S)-3-fluorobutan-2-yl]cyclopropane?
[(2S)-3-fluorobutan-2-yl]cyclopropane has a molecular weight of 116.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-fluorobutan-2-yl]cyclopropane is sourced from PubChem (CID 170226642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).