3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol

C11H20F3NO2 — CID 106940139

IUPAC3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol
SMILESNC1(COCC(O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9(16)7-17-8-10(15)5-3-1-2-4-6-10/h9,16H,1-8,15H2
InChIKeySNFGWDYZUPEFLH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.98
Rot. Bonds4

About 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol

3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 106940139) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID106940139
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol
SMILESNC1(COCC(O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9(16)7-17-8-10(15)5-3-1-2-4-6-10/h9,16H,1-8,15H2
InChIKeySNFGWDYZUPEFLH-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol (CID 106940139) is 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol is NC1(COCC(O)C(F)(F)F)CCCCCC1.
What is the InChIKey of 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SNFGWDYZUPEFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9(16)7-17-8-10(15)5-3-1-2-4-6-10/h9,16H,1-8,15H2.
What are the key properties of 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol?
3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106940139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).