1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid

C14H23F3O2 — CID 150208157

IUPAC1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCCCCCC(F)(F)F)CC1
InChIInChI=1S/C14H23F3O2/c15-14(16,17)9-7-5-3-1-2-4-6-8-13(10-11-13)12(18)19/h1-11H2,(H,18,19)
InChIKeyFQXIWHZAPMHWAH-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.92
Rot. Bonds10

About 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid

1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid (PubChem CID 150208157) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
PubChem CID150208157
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCCCCCC(F)(F)F)CC1
InChIInChI=1S/C14H23F3O2/c15-14(16,17)9-7-5-3-1-2-4-6-8-13(10-11-13)12(18)19/h1-11H2,(H,18,19)
InChIKeyFQXIWHZAPMHWAH-UHFFFAOYSA-N
XLogP4.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propyl-1-(4,4,4-trifluorobutyl)cyclohexane-1-carboxylic acid
CID 113327536
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone
CID 106797132
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
4-(5-hydroxypentyl)piperidine-4-carboxylic acid
CID 79424853
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-(3-chloropropyl)cyclopropane-1-carboxylic acid
CID 130514627
4-butyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79425349
4-tert-butyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79424929

Frequently Asked Questions

What is the IUPAC name of 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid (CID 150208157) is 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CCCCCCCCCC(F)(F)F)CC1.
What is the InChIKey of 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid?
The InChIKey is FQXIWHZAPMHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c15-14(16,17)9-7-5-3-1-2-4-6-8-13(10-11-13)12(18)19/h1-11H2,(H,18,19).
What are the key properties of 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid?
1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 150208157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).