1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

C9H16F2N2O2 — CID 103796495

IUPAC1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC(O)C(F)F)CCCC1
InChIInChI=1S/C9H16F2N2O2/c10-7(11)6(14)5-13-8(15)9(12)3-1-2-4-9/h6-7,14H,1-5,12H2,(H,13,15)
InChIKeyMSXIKDTZNNJQOO-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.00
Rot. Bonds4

About 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 103796495) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID103796495
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC(O)C(F)F)CCCC1
InChIInChI=1S/C9H16F2N2O2/c10-7(11)6(14)5-13-8(15)9(12)3-1-2-4-9/h6-7,14H,1-5,12H2,(H,13,15)
InChIKeyMSXIKDTZNNJQOO-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (CID 103796495) is 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is NC1(C(=O)NCC(O)C(F)F)CCCC1.
What is the InChIKey of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is MSXIKDTZNNJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-7(11)6(14)5-13-8(15)9(12)3-1-2-4-9/h6-7,14H,1-5,12H2,(H,13,15).
What are the key properties of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103796495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).