2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid

C10H14F4O2 — CID 115044604

IUPAC2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H14F4O2/c11-9(8(15)16,10(12,13)14)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,15,16)
InChIKeyDXPAZTUWDNGGNT-UHFFFAOYSA-N
MW242.21 g/mol
LogP3.31
Rot. Bonds3

About 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid

2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid (PubChem CID 115044604) has the molecular formula C10H14F4O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
PubChem CID115044604
Molecular FormulaC10H14F4O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H14F4O2/c11-9(8(15)16,10(12,13)14)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,15,16)
InChIKeyDXPAZTUWDNGGNT-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115036499
2-(cyclopentylmethyl)-2-methylbutanoic acid
CID 62740428
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
carbamic acid;2,2,2-tribromoethylcyclohexane
CID 70540306
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentanoic acid
CID 19840695
3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid
CID 175312642
2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
CID 115027287

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
The IUPAC name of 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid (CID 115044604) is 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid is O=C(O)C(F)(CC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
The InChIKey is DXPAZTUWDNGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O2/c11-9(8(15)16,10(12,13)14)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,15,16).
What are the key properties of 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid has a molecular weight of 242.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 115044604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).