3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C10H16F3NO — CID 106173825

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCCC1=CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(15)7-14-6-5-8-3-1-2-4-8/h3,9,14-15H,1-2,4-7H2
InChIKeyGDYSOSKHVNWRCE-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.00
Rot. Bonds5

About 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 106173825) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID106173825
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCCC1=CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(15)7-14-6-5-8-3-1-2-4-8/h3,9,14-15H,1-2,4-7H2
InChIKeyGDYSOSKHVNWRCE-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclohex-3-en-1-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 61529834
3-[2-(Cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63899845
3-(Cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol
CID 103838452
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644482
1,1,1-Trifluoro-3-(hept-6-enylamino)propan-2-ol
CID 105644805
1,1-Difluoro-3-(hept-6-enylamino)propan-2-ol
CID 105645178
2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106173802
2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 106174164
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093237
1,1,1-Trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol
CID 115712102
N-hydroxyethyl-N-cyclohex-1-enylmethylamine
CID 22951276
2-[2-(Cyclohexen-1-yl)ethylamino]ethanol
CID 55209957

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 106173825) is 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is OC(CNCCC1=CCCC1)C(F)(F)F.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GDYSOSKHVNWRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)9(15)7-14-6-5-8-3-1-2-4-8/h3,9,14-15H,1-2,4-7H2.
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 223.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).