1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol

C11H20F3NO — CID 75507576

IUPAC1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol
SMILESCC1CC1CN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C11H20F3NO/c1-7(2)15(5-9-4-8(9)3)6-10(16)11(12,13)14/h7-10,16H,4-6H2,1-3H3
InChIKeyZFRCSZDMWCFDTD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.28
Rot. Bonds5

About 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol

1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol (PubChem CID 75507576) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol
PubChem CID75507576
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol
SMILESCC1CC1CN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C11H20F3NO/c1-7(2)15(5-9-4-8(9)3)6-10(16)11(12,13)14/h7-10,16H,4-6H2,1-3H3
InChIKeyZFRCSZDMWCFDTD-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61608020
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CID 61764379
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CID 61765155
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CID 61765341
CID 61765341

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol (CID 75507576) is 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol is CC1CC1CN(CC(O)C(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol?
The InChIKey is ZFRCSZDMWCFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-7(2)15(5-9-4-8(9)3)6-10(16)11(12,13)14/h7-10,16H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 75507576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).