2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid

C8H10F2O2 — CID 157031019

IUPAC2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
SMILESO=C(O)CC1CC2[C@@H](C1)C2(F)F
InChIInChI=1S/C8H10F2O2/c9-8(10)5-1-4(2-6(5)8)3-7(11)12/h4-6H,1-3H2,(H,11,12)/t4?,5-,6?/m1/s1
InChIKeyLNZCEFQVOCZYSZ-INWUZDNDSA-N
MW176.16 g/mol
LogP1.75
Rot. Bonds2

About 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid

2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid (PubChem CID 157031019) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
PubChem CID157031019
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
SMILESO=C(O)CC1CC2[C@@H](C1)C2(F)F
InChIInChI=1S/C8H10F2O2/c9-8(10)5-1-4(2-6(5)8)3-7(11)12/h4-6H,1-3H2,(H,11,12)/t4?,5-,6?/m1/s1
InChIKeyLNZCEFQVOCZYSZ-INWUZDNDSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)butan-2-one
CID 157030649
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
CID 141099553
CID 144774623
CID 144774623
2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid
CID 167721189
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
2-(3-acetamidocyclobutyl)acetic acid
CID 154928575
2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid
CID 139988414
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
CID 144774659
CID 144774659

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
The IUPAC name of 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid (CID 157031019) is 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid.
What is the SMILES notation for 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
The canonical SMILES for 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid is O=C(O)CC1CC2[C@@H](C1)C2(F)F.
What is the InChIKey of 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
The InChIKey is LNZCEFQVOCZYSZ-INWUZDNDSA-N. The full InChI is InChI=1S/C8H10F2O2/c9-8(10)5-1-4(2-6(5)8)3-7(11)12/h4-6H,1-3H2,(H,11,12)/t4?,5-,6?/m1/s1.
What are the key properties of 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid has a molecular weight of 176.16 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid is sourced from PubChem (CID 157031019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).