(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol

C9H14F3NO — CID 158549676

IUPAC(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol
SMILESC[C@H]1C/C(=C(\CO)C(F)(F)F)[C@@H](N)C1
InChIInChI=1S/C9H14F3NO/c1-5-2-6(8(13)3-5)7(4-14)9(10,11)12/h5,8,14H,2-4,13H2,1H3/b7-6-/t5-,8-/m0/s1
InChIKeyXKRUOOAEEIAQRJ-YHODWOBOSA-N
MW209.21 g/mol
LogP1.59
Rot. Bonds1

About (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol

(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol (PubChem CID 158549676) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol
PubChem CID158549676
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol
SMILESC[C@H]1C/C(=C(\CO)C(F)(F)F)[C@@H](N)C1
InChIInChI=1S/C9H14F3NO/c1-5-2-6(8(13)3-5)7(4-14)9(10,11)12/h5,8,14H,2-4,13H2,1H3/b7-6-/t5-,8-/m0/s1
InChIKeyXKRUOOAEEIAQRJ-YHODWOBOSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol with MolForge

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Related Compounds

6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
CID 145284011
N-(3,5-dimethylcyclohexylidene)hydroxylamine
CID 580917
(3,5-dimethylcyclohexylidene)oxidanium
CID 140563406
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate;trans-(3S,5S)-3,5-dimethylcyclohexan-1-one
CID 158199472
3-(3,5-dimethylcyclohexylidene)butan-2-amine
CID 130574513
trans-(2S,6S)-2-(hydroxymethyl)-4,6-dimethylcyclohexan-1-one
CID 67149597
2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485883
3-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 130037737
2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine
CID 112566172
(3R)-3-amino-2,2-difluoro-3-[(1S,2S)-2-methylcyclopropyl]butan-1-ol
CID 89215546

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol (CID 158549676) is (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol is C[C@H]1C/C(=C(\CO)C(F)(F)F)[C@@H](N)C1.
What is the InChIKey of (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol?
The InChIKey is XKRUOOAEEIAQRJ-YHODWOBOSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-5-2-6(8(13)3-5)7(4-14)9(10,11)12/h5,8,14H,2-4,13H2,1H3/b7-6-/t5-,8-/m0/s1.
What are the key properties of (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol?
(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol has a molecular weight of 209.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 158549676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).