1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol

C11H20F3NO2 — CID 103780132

IUPAC1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
SMILESCC(CC(F)(F)F)NCC(O)COCC1CC1
InChIInChI=1S/C11H20F3NO2/c1-8(4-11(12,13)14)15-5-10(16)7-17-6-9-2-3-9/h8-10,15-16H,2-7H2,1H3
InChIKeyCGIUOGQYDYHQNE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds8

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

1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol (PubChem CID 103780132) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
PubChem CID103780132
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
SMILESCC(CC(F)(F)F)NCC(O)COCC1CC1
InChIInChI=1S/C11H20F3NO2/c1-8(4-11(12,13)14)15-5-10(16)7-17-6-9-2-3-9/h8-10,15-16H,2-7H2,1H3
InChIKeyCGIUOGQYDYHQNE-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol (CID 103780132) is 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol is CC(CC(F)(F)F)NCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
The InChIKey is CGIUOGQYDYHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(4-11(12,13)14)15-5-10(16)7-17-6-9-2-3-9/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.70, 8 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-trifluorobutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 103780132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).