1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol

C8H14FNO — CID 131219842

IUPAC1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol
SMILESOC(CF)CNC1CC=CC1
InChIInChI=1S/C8H14FNO/c9-5-8(11)6-10-7-3-1-2-4-7/h1-2,7-8,10-11H,3-6H2
InChIKeyLYYPPHSEKFVOOJ-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.62
Rot. Bonds4

About 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol

1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol (PubChem CID 131219842) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol
PubChem CID131219842
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol
SMILESOC(CF)CNC1CC=CC1
InChIInChI=1S/C8H14FNO/c9-5-8(11)6-10-7-3-1-2-4-7/h1-2,7-8,10-11H,3-6H2
InChIKeyLYYPPHSEKFVOOJ-UHFFFAOYSA-N
XLogP0.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol?
The IUPAC name of 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol (CID 131219842) is 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol is OC(CF)CNC1CC=CC1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol?
The InChIKey is LYYPPHSEKFVOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-5-8(11)6-10-7-3-1-2-4-7/h1-2,7-8,10-11H,3-6H2.
What are the key properties of 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol?
1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol has a molecular weight of 159.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylamino)-3-fluoropropan-2-ol is sourced from PubChem (CID 131219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).