3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol

C10H16F3NO — CID 165450826

IUPAC3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(C1=CCCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(15,7-14)8-5-3-1-2-4-6-8/h5,15H,1-4,6-7,14H2
InChIKeyWITXWJHSCFTOTB-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.13
Rot. Bonds2

About 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 165450826) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID165450826
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(C1=CCCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(15,7-14)8-5-3-1-2-4-6-8/h5,15H,1-4,6-7,14H2
InChIKeyWITXWJHSCFTOTB-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1,1,1-trifluoro-2-(4-methylcyclohex-1-en-1-yl)propan-2-ol
CID 165450824
3-amino-2-[(1E)-cyclododec-1-en-1-yl]-1,1,1-trifluoropropan-2-ol
CID 165450825
3-Amino-2-(cyclopent-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165450827
3-amino-2-[(1E)-cyclooct-1-en-1-yl]-1,1,1-trifluoropropan-2-ol
CID 165450828
3-Amino-2-(4-tert-butylcyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165450829
3-Amino-2-(3,5-dimethylcyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165450830
3-Amino-1,1,1-trifluoro-2-[4-(2-methylbutan-2-yl)cyclohex-1-en-1-yl]propan-2-ol
CID 165457519
3-Amino-1,1,1-trifluoro-2-(4-propylcyclohex-1-en-1-yl)propan-2-ol
CID 165457808
3-Amino-1,1,1-trifluoro-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)propan-2-ol
CID 165457810
3-Amino-2-(4,4-difluorocyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165457812
3-Amino-1,1,1-trifluoro-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]propan-2-ol
CID 165786127
3-Amino-2-(4,4-dimethylcyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165786128

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol (CID 165450826) is 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol is NCC(O)(C1=CCCCCC1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is WITXWJHSCFTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)9(15,7-14)8-5-3-1-2-4-6-8/h5,15H,1-4,6-7,14H2.
What are the key properties of 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 223.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclohepten-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 165450826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).