1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol

C9H17F2NO — CID 103731542

IUPAC1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)C(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-6-2-3-7(4-6)12-5-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3
InChIKeyMGZOWUMQSMTJIM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds4

About 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol

1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol (PubChem CID 103731542) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol
PubChem CID103731542
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)C(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-6-2-3-7(4-6)12-5-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3
InChIKeyMGZOWUMQSMTJIM-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol (CID 103731542) is 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol is CC1CCC(NCC(O)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is MGZOWUMQSMTJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6-2-3-7(4-6)12-5-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol?
1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 103731542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).