3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol

C10H18F3NO — CID 115034947

IUPAC3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(C1CCCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15,7-14)8-5-3-1-2-4-6-8/h8,15H,1-7,14H2
InChIKeyUOYZADVKYDKRQB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.21
Rot. Bonds2

About 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol

3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol (PubChem CID 115034947) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
PubChem CID115034947
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(C1CCCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15,7-14)8-5-3-1-2-4-6-8/h8,15H,1-7,14H2
InChIKeyUOYZADVKYDKRQB-UHFFFAOYSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 83916807
3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 165457814
2-amino-1-cycloheptyl-1-cyclopropylethanol
CID 82928815
2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239786
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
2,2,2-tricyclohexylethanamine
CID 57066061
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
CID 115027287
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol (CID 115034947) is 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol is NCC(O)(C1CCCCCC1)C(F)(F)F.
What is the InChIKey of 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is UOYZADVKYDKRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15,7-14)8-5-3-1-2-4-6-8/h8,15H,1-7,14H2.
What are the key properties of 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol?
3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115034947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).