2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane

C16H18F2O2 — CID 144811646

IUPAC2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
SMILESCC.O=C(O)C(F)(F)CCc1ccc2ccccc2c1
InChIInChI=1S/C14H12F2O2.C2H6/c15-14(16,13(17)18)8-7-10-5-6-11-3-1-2-4-12(11)9-10;1-2/h1-6,9H,7-8H2,(H,17,18);1-2H3
InChIKeyWHKWKWPBPWOFCI-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.52
Rot. Bonds4

About 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane

2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane (PubChem CID 144811646) has the molecular formula C16H18F2O2 and a molecular weight of 280.31 g/mol. Its IUPAC name is 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane.

Molecular Properties

Compound Name2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
PubChem CID144811646
Molecular FormulaC16H18F2O2
Molecular Weight280.31 g/mol
Exact Mass280.13
IUPAC Name2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
SMILESCC.O=C(O)C(F)(F)CCc1ccc2ccccc2c1
InChIInChI=1S/C14H12F2O2.C2H6/c15-14(16,13(17)18)8-7-10-5-6-11-3-1-2-4-12(11)9-10;1-2/h1-6,9H,7-8H2,(H,17,18);1-2H3
InChIKeyWHKWKWPBPWOFCI-UHFFFAOYSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid
CID 70339310
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 132547557
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
10-naphthalen-2-yldecanoic acid
CID 21478009
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
sodium 2-naphthalen-2-ylacetate
CID 23688045
CID 173442082
CID 173442082
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoate
CID 140983223
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane?
The IUPAC name of 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane (CID 144811646) is 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane.
What is the SMILES notation for 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane?
The canonical SMILES for 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane is CC.O=C(O)C(F)(F)CCc1ccc2ccccc2c1.
What is the InChIKey of 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane?
The InChIKey is WHKWKWPBPWOFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2.C2H6/c15-14(16,13(17)18)8-7-10-5-6-11-3-1-2-4-12(11)9-10;1-2/h1-6,9H,7-8H2,(H,17,18);1-2H3.
What are the key properties of 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane?
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane has a molecular weight of 280.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane is sourced from PubChem (CID 144811646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).