1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol

C11H20F3NO2 — CID 115518339

IUPAC1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
SMILESOC(CNCCCC(F)(F)F)COCC1CC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)4-1-5-15-6-10(16)8-17-7-9-2-3-9/h9-10,15-16H,1-8H2
InChIKeySGVLVZWSCDMLMQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds9

About 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol (PubChem CID 115518339) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
PubChem CID115518339
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
SMILESOC(CNCCCC(F)(F)F)COCC1CC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)4-1-5-15-6-10(16)8-17-7-9-2-3-9/h9-10,15-16H,1-8H2
InChIKeySGVLVZWSCDMLMQ-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905370
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 106174220
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115585636
1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60744396
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115486702

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol (CID 115518339) is 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol is OC(CNCCCC(F)(F)F)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The InChIKey is SGVLVZWSCDMLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)4-1-5-15-6-10(16)8-17-7-9-2-3-9/h9-10,15-16H,1-8H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol is sourced from PubChem (CID 115518339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).