1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid

C10H14F3NO3 — CID 115521710

IUPAC1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCCCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)3-1-2-6-14-7(15)9(4-5-9)8(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyYMPWUISRPNKIDI-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.70
Rot. Bonds6

About 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid

1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 115521710) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID115521710
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCCCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)3-1-2-6-14-7(15)9(4-5-9)8(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyYMPWUISRPNKIDI-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
4-(5,5,5-trifluoropentylcarbamoylamino)oxane-4-carboxylic acid
CID 115521401
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55261667
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 79395533
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
2-(5,5,5-trifluoropentylcarbamoylamino)acetic acid
CID 115521461

Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid (CID 115521710) is 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)NCCCCC(F)(F)F)CC1.
What is the InChIKey of 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is YMPWUISRPNKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)3-1-2-6-14-7(15)9(4-5-9)8(16)17/h1-6H2,(H,14,15)(H,16,17).
What are the key properties of 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115521710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).